(3S,7S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-6-((S)-1-phenyl-propyl)-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester

HCID 59337422

기본 정보

표준 SMILES
CC[C@@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)N(C)C(=O)[C@H](c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)O3
InChIKey
BTPGQGHBPMYLIT-FRJFGJRTSA-N
분자식
C45H50Cl2N2O5
평균 분자량
769.8 g/mol

이름 및 식별자

우선 이름
(3S,7S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-6-((S)-1-phenyl-propyl)-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester
IUPAC
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (3S,8S)-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-1-methyl-2-oxo-7-[(1S)-1-phenylpropyl]-8,9-dihydro-6H-pyrido[4,3-g][1,4]benzoxazine-8-carboxylate

이름 및 동의어

SCHEMBL1151889BTPGQGHBPMYLIT-FRJFGJRTSA-N(3S,7S)-3-[4-(3,4-Dichloro-benzyloxy)-phenyl]-1-methyl-2-oxo-6-((S)-1-phenyl-propyl)-2,3,5,6,7,8-hexahydro-1H-4-oxa-1,6-diaza-anthracene-7-carboxylic acid (1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl ester

데이터베이스 식별자

PubChem CID
59337422

물성

구조 계산 물성

XLogP
11.2
극성 표면적
68.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
11
무거운 원자 수
54

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