N-(3-(1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-2,4-dimethylbenzyl)-2,2,2-trifluoro acetamide
기본 정보
- 표준 SMILES
Cc1ccc(CNC(=O)C(F)(F)F)c(C)c1-c1nn(-c2ccc(C(F)(F)F)cc2)c(=O)[nH]1- InChIKey
INSBZDFWDWFOGX-UHFFFAOYSA-N- 분자식
- C20H16F6N4O2
- 평균 분자량
- 458.4 g/mol
이름 및 식별자
- 우선 이름
- N-(3-(1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-2,4-dimethylbenzyl)-2,2,2-trifluoro acetamide
- IUPAC
- N-[[2,4-dimethyl-3-[5-oxo-1-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]phenyl]methyl]-2,2,2-trifluoroacetamide
이름 및 동의어
N-(3-(1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-2,4-dimethylbenzyl)-2,2,2-trifluoro acetamideSCHEMBL15552495N-(3-(1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-2,4-dimethylbenzyl)-2,2,2-trifluoroacetamide
데이터베이스 식별자
- PubChem CID
- 136246060
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 73.8 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 745
관련 반응
4건
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