2-[3-(3-chloro-4-methyl-2-thienyl)-4-isobutyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(tri-fluoromethyl)phenylmethyl]-acetamide
기본 정보
- 표준 SMILES
Cc1csc(-c2nn(CC(=O)NCc3ccccc3C(F)(F)F)c(=O)n2CC(C)C)c1Cl- InChIKey
GHBQZIBZLUZYNS-UHFFFAOYSA-N- 분자식
- C21H22ClF3N4O2S
- 평균 분자량
- 486.9 g/mol
이름 및 식별자
- 우선 이름
- 2-[3-(3-chloro-4-methyl-2-thienyl)-4-isobutyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(tri-fluoromethyl)phenylmethyl]-acetamide
- IUPAC
- 2-[3-(3-chloro-4-methylthiophen-2-yl)-4-(2-methylpropyl)-5-oxo-1,2,4-triazol-1-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
이름 및 동의어
2-[3-(3-chloro-4-methyl-2-thienyl)-4-isobutyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(tri-fluoromethyl)phenylmethyl]-acetamideSCHEMBL44919312-[3-(3-chloro-4-methyl-2-thienyl)-4-isobutyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-N-[2-(trifluoromethyl)phenylmethyl]-acetamide
데이터베이스 식별자
- PubChem CID
- 58011949
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 93.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 736
관련 반응
2건
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