기본 정보
- 표준 SMILES
Cc1[nH]c(C=C2C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)O- InChIKey
RBHBOUYXUXWCNJ-UHFFFAOYSA-N- 분자식
- C16H13FN2O3
- 평균 분자량
- 300.28 g/mol
이름 및 식별자
- 우선 이름
- 5-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
- IUPAC
- 5-[(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
이름 및 동의어
5-(5-Fluoro-2-oxo-1,2-dihydro-indol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid452105-33-8(Z)-5-((5-fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acidSunitinib Impurity 345-[(5-Fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic AcidSCHEMBL859966orb1298104RBHBOUYXUXWCNJ-UHFFFAOYSA-N5-(5-Fluoro-2-oxo-1,2-dihydroAKOS030228413SB64542DB-263335
이름 더 보기
(E)-5-((5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid5-[(5-fluoro-2-oxo-indolin-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid5-(5-fluoro-2-oxo-1,2-dihydroindol-3-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
데이터베이스 식별자
- PubChem CID
- 53395102
물성
구조 계산 물성
- XLogP
- 2.1
- 극성 표면적
- 82.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 522
관련 반응
14건
연결된 노트
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