기본 정보
- 표준 SMILES
Cc1[nH]c(C=C2C(=O)Nc3ccc(Br)cc32)c(C)c1C(=O)NCCCn1ccnc1- InChIKey
ZNIIQDHOUZMYGZ-UHFFFAOYSA-N- 분자식
- C22H22BrN5O2
- 평균 분자량
- 468.3 g/mol
- 단동위원소 질량
- 467.09569
이름 및 식별자
- 우선 이름
- 5-(5-Bromo-2-oxo-1,2-Dihydroindol-3-Ylidenemethyl)-2,4-Dimethyl-1H-Pyrrole-3-Carboxylic Acid (3-Imidazol-1-yl-Propyl)Amide
- IUPAC
- 5-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-N-(3-imidazol-1-ylpropyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide
이름 및 동의어
SCHEMBL2112007SCHEMBL31672539ZNIIQDHOUZMYGZ-UHFFFAOYSA-N5-(5-Bromo-2-oxo-1,2-dihydroindol-3-ylidenemethyl) -2,4-dimethyl-1H-pyrrole-3-carboxylic acid (3-imidazol-1-yl-propyl)amide5-(5-Bromo-2-oxo-1,2-Dihydroindol-3-Ylidenemethyl)-2,4-Dimethyl-1H-Pyrrole-3-Carboxylic Acid (3-Imidazol-1-yl-Propyl)Amide5-(5-Bromo-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid (3-imidazol-1-ylpropyl)amide5-(5-Bromo-2-oxo-1.2-dihydroindol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid (3-imidazol-1-yl-propyl)amide
데이터베이스 식별자
- PubChem CID
- 67280211
물성
구조 계산 물성
- XLogP
- 2.5
- 극성 표면적
- 91.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 686
관련 반응
8건
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