chempirical

Gne 7915

C19H21F4N5O3CAS 1351761-44-8443.40 g/mol

Open in Covalent MOL file
HNNNFFFHNFONOO
Alkyl halideAmideAryl halideEtherSecondary amine

Properties

Molecular formula
C19H21F4N5O3
Molar mass
443.40 g/mol
Exact mass
443.1581 Da
logP
3.29Crippen estimate
Polar surface area
88.6 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
6

Identifiers

CAS number
1351761-44-8
SMILES
CCNC1=NC(=NC=C1C(F)(F)F)NC2=C(C=C(C(=C2)F)C(=O)N3CCOCC3)OC
InChIKey
XCFLWTZSJYBCPF-UHFFFAOYSA-N
InChI
InChI=1S/C19H21F4N5O3/c1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28/h8-10H,3-7H2,1-2H3,(H2,24,25,26,27)

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

Work with Gne 7915

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

Rociletinib1374640-70-640 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook