기본 정보
- 표준 SMILES
CC1CC1Cc1nn(-c2ccccc2C(F)(F)F)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1- InChIKey
CCJJBAOBCOBULM-UHFFFAOYSA-N- 분자식
- C34H29F3N4O4S
- 평균 분자량
- 646.7 g/mol
이름 및 식별자
- 우선 이름
- 4''-[3-(2-Methyl-cyclopropylmethyl)-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid benzoylamide
- IUPAC
- N-[2-[4-[[3-[(2-methylcyclopropyl)methyl]-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylbenzamide
이름 및 동의어
CHEMBL941764''-[3-(2-Methyl-cyclopropylmethyl)-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid benzoylamideSCHEMBL9145343BDBM500398784-[[2'-(N-Benzoylsulfamoyl)biphenyl-4-yl]methyl]-2,4-dihydro-5-[(2-methylcyclopropyl)methyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-one
데이터베이스 식별자
- PubChem CID
- 10100723
- ChEMBL
CHEMBL94176
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,240
관련 반응
2건
화합물 노트
불러오는 중…