Nvp-bgt226

C32H29F3N6O6CAS 1245537-68-1650.62 g/mol

Open in Covalent MOL file
NNNONNHFFFNOOOHOHO
AlkeneAlkyl halideCarboxylic acidEtherSecondary amineTertiary amine

Properties

Molecular formula
C32H29F3N6O6
Molar mass
650.62 g/mol
Exact mass
650.2101 Da
logP
4.09Crippen estimate
Polar surface area
151.8 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
6
Double bonds
ZE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

Search the SDS library

Identifiers

CAS number
1245537-68-1
SMILES
CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC.C(=C\C(=O)O)\C(=O)O
InChIKey
YUXMAKUNSXIEKN-BTJKTKAUSA-N
InChI
InChI=1S/C28H25F3N6O2.C4H4O4/c1-35-24-16-33-22-6-3-17(18-4-8-25(39-2)34-15-18)13-20(22)26(24)37(27(35)38)19-5-7-23(21(14-19)28(29,30)31)36-11-9-32-10-12-36;5-3(6)1-2-4(7)8/h3-8,13-16,32H,9-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Bgt226

Work with Nvp-bgt226

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Fumaric acid110-17-8Free acid, diastereomer Maleic acid110-16-7Free acid, stereo not defined Poly(maleic acid)26099-09-2Free acid, stereo not defined Iron(II) fumarate141-01-5Salt, diastereomer Enalapril maleate76095-16-4Salt Pyrilamine maleate59-33-6Salt, stereo not defined Chlorpheniramine maleate113-92-8Salt, stereo not defined Timolol maleate26921-17-5Salt Sodium fumarate5873-57-4Salt, diastereomer Clemastine fumarate14976-57-9Salt, diastereomer Calcium fumarate19855-56-2Salt, diastereomer (±)-Brompheniramine maleate980-71-2Salt, stereo not defined

Similar compounds

1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo(h)(1,6)naphthyridin-2(1H)-one1222998-36-845 % similar Azd-01561821428-35-638 % similar Dactolisib915019-65-738 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook