Ethyl 6-methyl-2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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기본 정보
- CAS
445237-23-0- 표준 SMILES
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c1CCC(C)C2- InChIKey
IUSVYERDVGFRBI-UHFFFAOYSA-N- 분자식
- C29H27N3O3S2
- 평균 분자량
- 529.7 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 6-methyl-2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 6-methyl-2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 6-methyl-2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C29H27N3O3S2
- 분자량
- 529.67298
이름 및 동의어
ethyl 6-methyl-2-({[(2-phenylquinolin-4-yl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/41024547STK317675AKOS003796142ethyl 6-methyl-2-[(2-phenylquinoline-4-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate445237-23-0ethyl 6-methyl-2-(3-(2-phenylquinoline-4-carbonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateethyl 6-methyl-2-[({[(2-phenyl-4-quinolinyl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateETHYL 6-METHYL-2-[({[(2-PHENYL-4-QUINOLYL)CARBONYL]AMINO}CARBOTHIOYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
데이터베이스 식별자
- CAS
445237-23-0
물성
구조 계산 물성보충 중
- XLogP
- 7.3
- 극성 표면적
- 141 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 835
관련 반응
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