기본 정보
- 표준 SMILES
Cc1c(C(=O)N2C[C@@H](C)N[C@@H](C)C2)c[nH]c1C=C1C(=O)Nc2cccc(-c3cccc(C(F)(F)F)c3)c21- InChIKey
DFWFZVKBEXJMOJ-IYBDPMFKSA-N- 분자식
- C28H27F3N4O2
- 평균 분자량
- 508.5 g/mol
이름 및 식별자
- 우선 이름
- 3-{4((cis)-3,5-dimethyl-piperazine-1-carbonyl]-3-methyl-1H-pyrrol-2-ylmethylene}-4-(3-trifluoromethyl-phenyl)-1,3-dihydro-indol-2-one
- IUPAC
- 3-[[4-[(3S,5R)-3,5-dimethylpiperazine-1-carbonyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-[3-(trifluoromethyl)phenyl]-1H-indol-2-one
이름 및 동의어
3-{4((cis)-3,5-dimethyl-piperazine-1-carbonyl]-3-methyl-1H-pyrrol-2-ylmethylene}-4-(3-trifluoromethyl-phenyl)-1,3-dihydro-indol-2-oneSCHEMBL63198293-{4-((cis)-3,5-dimethyl-piperazine-1-carbonyl]-3-methyl-1H-pyrrol-2-ylmethylene}-4-(3-trifluoromethyl-phenyl)-1,3-dihydro-indol-2-one3-{4-((cis)-3,5-dimethyl-piperazine-1-carbonyl]-3-methyl-1H-pyrrol-2-ylmethylene}-4-(3-trifluoromethyl-phenyl)-1,3dihydro-indol-2-one
데이터베이스 식별자
- PubChem CID
- 69740766
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 77.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 898
관련 반응
2건
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