기본 정보
- 표준 SMILES
Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1- InChIKey
IWYWFPBHXCCNKX-UHFFFAOYSA-N- 분자식
- C29H26Cl2F3N3
- 평균 분자량
- 544.4 g/mol
이름 및 식별자
- 우선 이름
- 1-[[1,5-Bis(4-chlorophenyl)-2-methyl-pyrrol-3-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
- IUPAC
- 1-[[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
이름 및 동의어
1-[[1,5-bis(4-chlorophenyl)-2-methyl-pyrrol-3-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazineSCHEMBL29691841-{[1,5-bis(4-Chlorophenyl)-2-methylpyrrol-3-yl]methyl}-4-(3-trifluoro-methylphenyl)piperazine1-{[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3-yl]methyl}-4-(3-trifluoromethyl phenyl)piperazine1-{[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3yl]methyl}-4-(3-trifluoromethyl phenyl)piperazine1-{[1,5-bis(4-chlorophenyl)-2-methylpyrrol-3yl]methyl}-4-(3-trifluoromethyl-phenyl)piperazine
데이터베이스 식별자
- PubChem CID
- 3011390
물성
구조 계산 물성
- XLogP
- 8
- 극성 표면적
- 11.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 716
관련 반응
3건
화합물 노트
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