기본 정보
- 표준 SMILES
CC(=O)c1cc2c(cc1NC(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2- InChIKey
RKTQDYUICJAAKQ-UHFFFAOYSA-N- 분자식
- C18H14ClN3O7S2
- 평균 분자량
- 483.9 g/mol
이름 및 식별자
- 우선 이름
- N-(4-chloro-3-methyl-5-isoxazolyl)2-{[2-acetyl-4,5-(methylenedioxy)phenyl]aminocarbonyl}thiophene-3-sulfonamide
- IUPAC
- N-(6-acetyl-1,3-benzodioxol-5-yl)-3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxamide
이름 및 동의어
CHEMBL283535SCHEMBL4631821RKTQDYUICJAAKQ-UHFFFAOYSA-NBDBM50058115L0156503-(4-Chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carboxylic acid (6-acetyl-benzo[1,3]dioxol-5-yl)-amideN-(4-chloro-3-methyl-5- isoxazolyl)2-{[2-acetyl-4,5-(methylenedioxy)phenyl]aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazoiyl)2-{[2-acetyl-4,5-(methyienedioxy)phenyl]-aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl) 2-{[2-acetyl-4,5-(methylenedioxy)phenyl]aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)2-{[2-acetyl-4, 5-(methylenedioxy)-phenyl]aminocarbonyl}thiophene-3-sulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)2-{[2-acetyl-4,5-(methylenedioxy)phenyl]aminocarbonyl}thiophene-3-sulfonamide
데이터베이스 식별자
- PubChem CID
- 10696210
- ChEMBL
CHEMBL283535
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 173 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 810
관련 반응
20건
연결된 노트
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