3-(2-(R)-cyclopropylmethyl-5-(3,5-difluorophenyl)-3 (S)-hydroxyl-1-oxopentyl)amino-1-methyl-5-(pyridin-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one

HCID 9807077
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기본 정보

표준 SMILES
CN1C(=O)C(NC(=O)[C@H](CC2CC2)[C@@H](O)CCc2cc(F)cc(F)c2)N=C(c2ccccn2)c2ccccc21
InChIKey
WVDRKBHZFIDEJF-JNBDQXKTSA-N
분자식
C30H30F2N4O3
평균 분자량
532.6 g/mol

이름 및 식별자

우선 이름
3-(2-(R)-cyclopropylmethyl-5-(3,5-difluorophenyl)-3 (S)-hydroxyl-1-oxopentyl)amino-1-methyl-5-(pyridin-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one
IUPAC
(2R,3S)-2-(cyclopropylmethyl)-5-(3,5-difluorophenyl)-3-hydroxy-N-(1-methyl-2-oxo-5-pyridin-2-yl-3H-1,4-benzodiazepin-3-yl)pentanamide

이름 및 동의어

SCHEMBL4174977WVDRKBHZFIDEJF-JNBDQXKTSA-N3-(2-(R)-cyclopropylmethyl-5-(3,5-difluorophenyl)-3 (S)-hydroxyl-1-oxopentyl)amino-1-methyl-5-(pyridin-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-2-one3-(2-(r)-cyclopropylmethyl-5-(3,5-difluorophenyl)-3(s)-hydroxyl-1-oxopentyl)amino-1-methyl-5-(pyridin-2-yl)-2,3-dihydro-1h-1,4-benzodiazepin-2-one

데이터베이스 식별자

PubChem CID
9807077

물성

구조 계산 물성

XLogP
5.2
극성 표면적
94.9 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
7
회전 가능 결합 수
9
무거운 원자 수
39

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