기본 정보
- 표준 SMILES
Cc1cc(C(=O)NCCN2CCCCC2)c(/C=C2\C(=O)Nc3cccc(-c4cccc(F)c4)c32)[nH]1- InChIKey
HOCGTFBMSKZONP-QJOMJCCJSA-N- 분자식
- C28H29FN4O2
- 평균 분자량
- 472.6 g/mol
이름 및 식별자
- 우선 이름
- 2-[4-(3-Fluoro-phenyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-Piperidin-1-yl-ethyl)-amide
- IUPAC
- 2-[(Z)-[4-(3-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-carboxamide
이름 및 동의어
HOCGTFBMSKZONP-QJOMJCCJSA-N2-[4-(3-Fluoro-phenyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-Piperidin-1-yl-ethyl)-amide2-[4-(3-Fluoro-phenyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-piperidin-1-ylethyl)amide2-[4-(3-Fluorophenyl)-2-oxo-1,2-dihydro-indol-(3Z)-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-piperidin-1-yl-ethyl)-amide
데이터베이스 식별자
- PubChem CID
- 60061591
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 77.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 798
관련 반응
2건
화합물 노트
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