기본 정보
- 표준 SMILES
Cc1ccc(C2=NC(O)(C(F)(F)F)CN2c2ccc(S(C)(=O)=O)cc2)cc1- InChIKey
CJQZVNKXZVPGKS-UHFFFAOYSA-N- 분자식
- C18H17F3N2O3S
- 평균 분자량
- 398.4 g/mol
이름 및 식별자
- 우선 이름
- 2-(4-methylphenyl)-4-hydroxy-1-(4-(methylsulfonyl)phenyl]-4-trifluoromethyl-4,5-dihydro-1H-imidazole
- IUPAC
- 2-(4-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
이름 및 동의어
2-(4-methylphenyl)-4-hydroxy-1-(4-(methylsulfonyl)phenyl]-4-trifluoromethyl-4,5-dihydro-1H-imidazole2-(4-methylphenyl)-4-hydroxy-1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-4,5-dihydro-1H-imidazoleSCHEMBL55946502-(4-methylphenyl) -4-hydroxy-1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl -4,5-dihydro-1H-imidazole2-(4-methylphenyl)-4-hydroxy-1-[4-(methylsulfonyl)phenyl]-4-trifluoromethyl-4,5-dihydro -1h-imidazole
데이터베이스 식별자
- PubChem CID
- 10524901
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 78.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 673
관련 반응
6건
화합물 노트
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