기본 정보
- 표준 SMILES
Cc1[nH]c(C=C2C(=O)Nc3cccc(-c4cccc(F)c4)c32)c(C)c1C(=O)N1CCN(C)CC1- InChIKey
YVIDARGTGQKWAU-UHFFFAOYSA-N- 분자식
- C27H27FN4O2
- 평균 분자량
- 458.5 g/mol
- 단동위원소 질량
- 458.21180428
이름 및 식별자
- 우선 이름
- 3-[3,5-dimethyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]-4-(3-fluoro-phenyl)1,3-dihydro-indol-2-one
- IUPAC
- 3-[[3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-4-(3-fluorophenyl)-1H-indol-2-one
이름 및 동의어
SCHEMBL6328542YVIDARGTGQKWAU-UHFFFAOYSA-N3-[3,5-dimethyl-4-(4-methyl-piperazine-1-carbonyl)-1 H-pyrrol-2-ylmethylene]-4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-one3-[3,5-dimethyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]-4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-one3-[3,5-dimethyl-4-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]-4-(3-fluoro-phenyl)1,3-dihydro-indol-2-one
데이터베이스 식별자
- PubChem CID
- 24942647
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 68.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 810
관련 반응
3건
화합물 노트
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