기본 정보
- CAS
544424-46-6- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc(C(=O)N(CC)CC)c1C- InChIKey
OKBRHXYEBFONKU-UHFFFAOYSA-N- 분자식
- C23H25ClN2O4S2
- 평균 분자량
- 493 g/mol
- 단동위원소 질량
- 492.0944273
이름 및 식별자
- 우선 이름
- Ethyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
- IUPAC
- ethyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
- 영어명
- ethyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate
- 분자식
- C23H25ClN2O4S2
- 분자량
- 493.0386
이름 및 동의어
ethyl 2-{[(3-chloro-6-methyl-1-benzothiophen-2-yl)carbonyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylateOprea1_706583AK-968/41925177STK432441AKOS003284868ethyl 2-[(3-chloro-6-methyl-1-benzothiophene-2-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylateST50926403544424-46-6ethyl 2-(3-chloro-6-methylbenzo[b]thiophene-2-carboxamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylateethyl 2-{[(3-chloro-6-methyl-1-benzothien-2-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylateethyl 5-(N,N-diethylcarbamoyl)-2-[(3-chloro-6-methylbenzo[b]thiophen-2-yl)carb onylamino]-4-methylthiophene-3-carboxylate
데이터베이스 식별자
- CAS
544424-46-6- PubChem CID
- 1000680
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 132 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 707
화학 및 산업
공급사1 곳
SPECS[email protected]
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