기본 정보
- 표준 SMILES
NCc1cnc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F- InChIKey
WISLVDAKAPJAMA-UHFFFAOYSA-N- 분자식
- C17H13Cl3F6N4
- 평균 분자량
- 493.7 g/mol
이름 및 식별자
- 우선 이름
- 1-{2-[3-(3,4,5-Trichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanamine
- IUPAC
- [2-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
이름 및 동의어
1-{2-[3-(3,4,5-Trichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanamineSCHEMBL8079151-{2-[3-(3,4,5-trichlorophenyl)-3-(tri-fluoromethyl)-pyrrolidin-1-yl]-4-(tri-fluoromethyl)pyrimidin-5-yl}methanamine1-{2-[3-(3,4,5-trichlorophenyl)-3-(tri-fluoromethyl)-pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methanamine1-{2-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoro-methyl)pyrimidin-5-yl}methanamine
데이터베이스 식별자
- PubChem CID
- 59453377
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 55 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 597
관련 반응
11건
화합물 노트
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