기본 정보
- CAS
6240-74-0- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc(C(C)=O)c1C- InChIKey
YRJRFSOUOQKLLJ-UHFFFAOYSA-N- 분자식
- C23H28N2O6S2
- 평균 분자량
- 492.6 g/mol
- 단동위원소 질량
- 492.13887896
이름 및 식별자
- 우선 이름
- Ethyl 5-acetyl-2-[4-(azepane-1-sulfonyl)benzamido]-4-methylthiophene-3-carboxylate
- IUPAC
- ethyl 5-acetyl-2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methylthiophene-3-carboxylate
- 영어명
- ethyl 5-acetyl-2-(4-(azepan-1-ylsulfonyl)benzamido)-4-methylthiophene-3-carboxylate
- 분자식
- C23H28N2O6S2
- 분자량
- 492.61
이름 및 동의어
6240-74-0326007-69-6ethyl 5-acetyl-2-(4-(azepan-1-ylsulfonyl)benzamido)-4-methylthiophene-3-carboxylateEthyl 5-acetyl-2-[4-(azepane-1-sulfonyl)benzamido]-4-methylthiophene-3-carboxylateETHYL 5-ACETYL-2-[[4-(AZEPAN-1-YLSULFONYL)BENZOYL]AMINO]-4-METHYL-THIOPHENE-3-CARBOXYLATEethyl 5-acetyl-2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-methylthiophene-3-carboxylateCBMicro_033244DTXSID60359920STL300028AKOS000806885BIM-0033110.P001EU-0073001
이름 더 보기
3-Thiophenecarboxylic acid, 5-acetyl-2-[[4-[(hexahydro-1H-azepin-1-yl)sulfonyl]benzoyl]amino]-4-methyl-, ethyl ester
ST50776038AF-399/37326005SR-01000445640SR-01000445640-1F0818-0043ethyl 5-acetyl-2-{[4-(1-azepanylsulfonyl)benzoyl]amino}-4-methyl-3-thiophenecarboxylateethyl 5-acetyl-2-({[4-(azepan-1-ylsulfonyl)phenyl]carbonyl}amino)-4-methylthiophene-3-carboxylateethyl 5-acetyl-2-{[4-(azaperhydroepinylsulfonyl)phenyl]carbonylamino}-4-methyl thiophene-3-carboxylate
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 811
물리화학적 성질
- 밀도
- 1.32 · 1.320±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.45 · 11.45±0.70(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
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