기본 정보
- CAS
438613-42-4- 표준 SMILES
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c1CCC(CC)C2- InChIKey
KSVAHUGAMPLLNE-UHFFFAOYSA-N- 분자식
- C30H29N3O3S2
- 평균 분자량
- 543.7 g/mol
- 단동위원소 질량
- 543.16503414
이름 및 식별자
- 우선 이름
- Ethyl 6-ethyl-4,5,6,7-tetrahydro-2-(((((2-phenyl-4-quinolinyl)carbonyl)amino)thioxomethyl)amino)benzo(b)thiophene-3-carboxylate
- IUPAC
- ethyl 6-ethyl-2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 6-ethyl-2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C30H29N3O3S2
- 분자량
- 543.69956
이름 및 동의어
438613-42-4Ethyl 6-ethyl-4,5,6,7-tetrahydro-2-[[[[(2-phenyl-4-quinolinyl)carbonyl]amino]thioxomethyl]amino]benzo[b]thiophene-3-carboxylateEthyl 6-ethyl-4,5,6,7-tetrahydro-2-(((((2-phenyl-4-quinolinyl)carbonyl)amino)thioxomethyl)amino)benzo(b)thiophene-3-carboxylateRefChem:344559ethyl 6-ethyl-2-({[(2-phenylquinolin-4-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/41016992ethyl 6-ethyl-2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateDTXSID401103271STK301339AKOS003791488ethyl 6-ethyl-2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 6-ethyl-2-{[(2-phenylquinoline-4-carbonyl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
데이터베이스 식별자
- CAS
438613-42-4- PubChem CID
- 4298411
물성
구조 계산 물성
- XLogP
- 7.9
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 851
화학 및 산업
공급사1 곳
SPECS[email protected]
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