기본 정보
- 표준 SMILES
COC(=O)c1ccc(S(=O)(=O)N(Cc2ccc(F)c(C(F)(F)F)c2)c2sc3ccccc3c2C)cc1- InChIKey
RKLIDZIBUGPVKN-UHFFFAOYSA-N- 분자식
- C25H19F4NO4S2
- 평균 분자량
- 537.5 g/mol
이름 및 식별자
- 우선 이름
- Methyl 4-({[4-fluoro-3-(trifluoromethyl)phenyl]methyl}(3-methyl-1-benzothiophen-2-yl)sulfamoyl)benzoate
- IUPAC
- methyl 4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-(3-methyl-1-benzothiophen-2-yl)sulfamoyl]benzoate
이름 및 동의어
methyl 4-({[4-fluoro-3-(trifluoromethyl)phenyl]methyl}(3-methyl-1-benzothiophen-2-yl)sulfamoyl)benzoate1104623-15-5methyl 4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl-(3-methyl-1-benzothiophen-2-yl)sulfamoyl]benzoateSCHEMBL1099542CHEMBL3899786BDBM248290NSC846470AKOS015993884BD-0067NSC-846470US9434711, 138Methyl 4-(N-(4-fluoro-3-(trifluoromethyl)benzyl)-N-(3-methylbenzo[b]thiophen-2-yl)sulfamoyl)benzoate
이름 더 보기
methyl4-({[4-fluoro-3-(trifluoromethyl)phenyl]methyl}(3-methyl-1-benzothiophen-2-yl)sulfamoyl)benzoateN-[4-Fluoro-3-(trifluoromethyl)-benzyl]-N-(3-methylbenzo[b]thiophen-2-yl)-4-carbomethoxy-benzenesulfonamide
데이터베이스 식별자
- PubChem CID
- 56723940
- ChEMBL
CHEMBL3899786
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 872
관련 반응
6건
화합물 노트
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