(αS)-N-[(1S)-2-[[(7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[B,D]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-α-hydroxybenzeneacetamide

C₂₆H₂₃F₂N₃O₄CAS 209984-57-6479.48 g/mol

Open in Covalent MOL file

Alcohol Amide Aryl halide Lactam

Properties

Molecular formula: C₂₆H₂₃F₂N₃O₄
Molar mass: 479.48 g/mol
Exact mass: 479.1657 Da
logP: 4.68Crippen estimate
Polar surface area: 105.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: S, S, Sin SMILES atom order

Identifiers

CAS number

209984-57-6

SMILES

C[C@H](N=C(O)[C@@H](O)c1cc(F)cc(F)c1)C(O)=N[C@@H]1C(=O)N(C)c2ccccc2-c2ccccc21

InChIKey

ULSSJYNJIZWPSB-CVRXJBIPSA-N

InChI

InChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1

Weigh it out

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

Names and synonyms

3 names

Benzeneacetamide, N-[(1S)-2-[[(7S)-6,7-dihydro-5-methyl-6-oxo-5H-dibenz[b,d]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-α-hydroxy-, (αS)-
LY 411575
LY 411,575

Work with (αS)-N-[(1S)-2-[[(7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz[B,D]azepin-7-yl]amino]-1-methyl-2-oxoethyl]-3,5-difluoro-α-hydroxybenzeneacetamide

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook