N-({2-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-pyrrolidin-1-yl]-(tri-fluoromethyl)pyrimidin-5-yl}methyl)propanamide
기본 정보
- 표준 SMILES
CCC(=O)NCc1cnc(N2CCC(c3cc(Cl)c(Cl)c(Cl)c3)(C(F)(F)F)C2)nc1C(F)(F)F- InChIKey
GVLRDPXJOZDCSL-UHFFFAOYSA-N- 분자식
- C20H17Cl3F6N4O
- 평균 분자량
- 549.7 g/mol
이름 및 식별자
- 우선 이름
- N-({2-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-pyrrolidin-1-yl]-(tri-fluoromethyl)pyrimidin-5-yl}methyl)propanamide
- IUPAC
- N-[[2-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl]methyl]propanamide
이름 및 동의어
N-({2-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-pyrrolidin-1-yl]-(tri-fluoromethyl)pyrimidin-5-yl}methyl)propanamideSCHEMBL3030705N-({2-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-pyrrolidin-1-yl]-4-(tri-fluoromethyl)pyrimidin-5-yl}methyl)propanamideN-({2-[3-(3,4,5-trichlorophenyl)-3-(trifluoromethyl)-pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidin-5-yl}methyl)propanamide
데이터베이스 식별자
- PubChem CID
- 45378076
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 58.1 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 717
관련 반응
4건
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