chempirical

Nd-646

C28H32N4O7SCAS 1434639-57-2568.65 g/mol

Open in Covalent MOL file
SONONOOOONH2NO
AmideEther

Properties

Molecular formula
C28H32N4O7S
Molar mass
568.65 g/mol
Exact mass
568.1992 Da
logP
3.35Crippen estimate
Polar surface area
140.8 Ų
H-bond donors / acceptors
1 / 9
Rotatable bonds
9
Stereocentres
Rin SMILES atom 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
1434639-57-2
SMILES
CC1=C(SC2=C1C(=O)N(C(=O)N2C[C@@H](C3=CC=CC=C3OC)OC4CCOCC4)C(C)(C)C(=O)N)C5=NC=CO5
InChIKey
HSRWXLIYNCKHRZ-FQEVSTJZSA-N
InChI
InChI=1S/C28H32N4O7S/c1-16-21-24(33)32(28(2,3)26(29)34)27(35)31(25(21)40-22(16)23-30-11-14-38-23)15-20(39-17-9-12-37-13-10-17)18-7-5-6-8-19(18)36-4/h5-8,11,14,17,20H,9-10,12-13,15H2,1-4H3,(H2,29,34)/t20-/m0/s1

Weigh it out

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

Work with Nd-646

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

Similar compounds

Ndi-0109761434635-54-785 % similar (βR)-2-Methoxy-β-[(tetrahydro-2H-pyran-4-yl)oxy]benzeneethanol1434652-66-034 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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