ethyl 10,11-di-hydro-10-(4-amino-3-methylbenzoyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate

HCID 21836996

기본 정보

표준 SMILES
CCOC(=O)c1ccc2n1Cc1ccccc1N(C(=O)c1ccc(N)c(C)c1)C2
InChIKey
IBFZYQSPLMKSSB-UHFFFAOYSA-N
분자식
C23H23N3O3
평균 분자량
389.4 g/mol

이름 및 식별자

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

이름 및 동의어

ethyl 10,11-dihydro-10-(4-amino-3-methylbenzoyl)-5H-pyrrolo[2,1-c]-(1,4]benzodiazepine-3-carboxylateethyl 10,11-dihydro-10-(4-amino-3-methylbenzoyl)-5H-pyrrolo[2,1-c]-[1,4]benzodiazepine-3-carboxylateSCHEMBL7333536IBFZYQSPLMKSSB-UHFFFAOYSA-Nethyl 10,11-di-hydro-10-(4-amino-3-methylbenzoyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylateethyl 10,11-dihydro-10-(4-amino-3-methylbenzoyl)-5H-pyrrolo[2,1-c][1,4]benzodiazepine-3-carboxylate

데이터베이스 식별자

PubChem CID
21836996

물성

구조 계산 물성

XLogP
3.1
극성 표면적
77.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
29

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