2-[4-(2-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-diethylamino-ethyl)-amide
기본 정보
- 표준 SMILES
CCN(CC)CCNC(=O)c1cc(C)[nH]c1C=C1C(=O)Nc2cccc(-c3ccccc3F)c21- InChIKey
HAKKNBXVBAEQBF-UHFFFAOYSA-N- 분자식
- C27H29FN4O2
- 평균 분자량
- 460.5 g/mol
- 단동위원소 질량
- 460.22745434
이름 및 식별자
- 우선 이름
- 2-[4-(2-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-diethylamino-ethyl)-amide
- IUPAC
- N-[2-(diethylamino)ethyl]-2-[[4-(2-fluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-1H-pyrrole-3-carboxamide
이름 및 동의어
HAKKNBXVBAEQBF-UHFFFAOYSA-N2-[4-(2-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1 H-pyrrole-3-carboxylic acid (2-diethylamino-ethyl)-amide2-[4-(2-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-diethylamino-ethyl)-amide2-[4-(2-fluoro-phenyl)-2-oxo-1,2-dihydro-indol-3-ylidenemethyl]-5-methyl-1H-pyrrole-3-carboxylic acid (2-diethylamino-ethyl)amide
데이터베이스 식별자
- PubChem CID
- 72637663
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 77.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 755
관련 반응
3건
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