기본 정보
- CAS
438225-82-2- 표준 SMILES
CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(CC)s3)nc3ccccc23)sc2c1CCCC2- InChIKey
XIJNSKAIRLZVNN-UHFFFAOYSA-N- 분자식
- C27H26N2O3S2
- 평균 분자량
- 490.6 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 2-[[2-(5-ethylthiophen-2-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[[2-(5-ethylthiophen-2-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 영어명
- ethyl 2-({[2-(5-ethyl-2-thienyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- 분자식
- C27H26N2O3S2
- 분자량
- 490.64
이름 및 동의어
ethyl 2-({[2-(5-ethyl-2-thienyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/41171164STK431644AKOS003300946ethyl 2-[[2-(5-ethylthiophen-2-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50831288438225-82-2ethyl 2-({[2-(5-ethylthiophen-2-yl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateethyl 2-(2-(5-ethylthiophen-2-yl)quinoline-4-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylateethyl 2-{[2-(5-ethyl-2-thienyl)-4-quinolyl]carbonylamino}-4,5,6,7-tetrahydrobe nzo[b]thiophene-3-carboxylateBenzo[b]thiophene-3-carboxylic acid, 2-[[[2-(5-ethyl-2-thienyl)-4-quinolinyl]carbonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
데이터베이스 식별자
- CAS
438225-82-2
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 737
물리화학적 성질
- 끓는 점
- 628 · 628.0±55.0 °C(Predicted)
- 밀도
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.37 · 11.37±0.20(Predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
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