기본 정보
- 표준 SMILES
Cc1nc(N(C)C(=O)Cc2ccc(-c3cc(F)ccc3F)cc2)sc1S(N)(=O)=O- InChIKey
YNKWCMMFCLRLDC-UHFFFAOYSA-N- 분자식
- C19H17F2N3O3S2
- 평균 분자량
- 437.5 g/mol
이름 및 식별자
- 우선 이름
- 2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)acetamide
- IUPAC
- 2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)acetamide
이름 및 동의어
CHEMBL4067954SCHEMBL1177291SCHEMBL30123365YNKWCMMFCLRLDC-UHFFFAOYSA-NBDBM50237371US11278534, reference example 87 (WO2001/047904)2-[4-(2,5-difluorophenyl)phenyl]-N-methyl-N-(4-methyl-5-sulfamoyl-thiazol-2-yl)acetamideN-[5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl]-2-(2',5'-difluoro-1,1'-biphenyl-4-yl)-N-methylacetamideN-[5-(Aminosulfonyl)-4-methyl-1,3-thiazol-2-yl]-2-(2',5'-difluorobiphenyl-4-yl)-N-methylacetamideN-[5-(aminosulphonyl)-4-methyl-1,3-thiazol-2-yl]-2-(2',5'-difluoro-1,1'-biphenyl-4-yl)-N-methylacetamide
데이터베이스 식별자
- PubChem CID
- 504303
- ChEMBL
CHEMBL4067954
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 683
관련 반응
2건
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