Ethyl10-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate

HCID 21837013

기본 정보

표준 SMILES
CCOC(=O)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C)c1)C2
InChIKey
LZVXAPDLZFJVIN-UHFFFAOYSA-N
분자식
C30H25Cl2N3O4
평균 분자량
562.4 g/mol

이름 및 식별자

우선 이름
Ethyl10-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate
IUPAC
ethyl 5-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-9-carboxylate

이름 및 동의어

SCHEMBL7339753LZVXAPDLZFJVIN-UHFFFAOYSA-NEthyl 10-[4-[(2,4-dichlorobenzoyl)amino]-3-methyl-benzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]-benzodiazepine-3-carboxylateEthyl 10-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]-benzodiazepine-3-carboxylateEthyl 10-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylateEthyl10-[4-[(2,4-dichlorobenzoyl)amino]-3-methylbenzoyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate

데이터베이스 식별자

PubChem CID
21837013

물성

구조 계산 물성

XLogP
5.9
극성 표면적
80.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
6
무거운 원자 수
39

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