2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]quinoline-4-carboxamide
기본 정보
- CAS
438211-22-4- 표준 SMILES
Cc1sc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c(C#N)c1-c1ccc(C(C)C)cc1- InChIKey
AOMLKRGBNWLMLQ-UHFFFAOYSA-N- 분자식
- C32H25N3O3S
- 평균 분자량
- 531.6 g/mol
이름 및 식별자
- 우선 이름
- 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]quinoline-4-carboxamide
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]quinoline-4-carboxamide
- 영어명
- 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]-4-quinolinecarboxamide
- 분자식
- C32H25N3O3S
- 분자량
- 531.62
이름 및 동의어
2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-(4-propan-2-ylphenyl)thiophen-2-yl]quinoline-4-carboxamide2-(1,3-benzodioxol-5-yl)-N-[3-cyano-4-(4-isopropylphenyl)-5-methyl-2-thienyl]-4-quinolinecarboxamideOprea1_297025AK-968/41017300STK428780AKOS003302550ST50829257(2-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)(4-quinolyl))-N-{3-cyano-5-methyl-4-[4-(m ethylethyl)phenyl](2-thienyl)}carboxamide2-(1,3-benzodioxol-5-yl)-N-{3-cyano-5-methyl-4-[4-(propan-2-yl)phenyl]thiophen-2-yl}quinoline-4-carboxamide438211-22-44-Quinolinecarboxamide, 2-(1,3-benzodioxol-5-yl)-N-[3-cyano-5-methyl-4-[4-(1-methylethyl)phenyl]-2-thienyl]-
데이터베이스 식별자
- CAS
438211-22-4
물성
구조 계산 물성
- XLogP
- 7.9
- 극성 표면적
- 112 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 914
물리화학적 성질
- 끓는 점
- 654.8 · 654.8±55.0 °C(Predicted)
- 밀도
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.76 · 10.76±0.70(Predicted)
관련 반응
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