기본 정보
- CAS
330181-26-5- 표준 SMILES
CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(CSc2ccccn2)c1- InChIKey
GQTCSMGQSAROJY-UHFFFAOYSA-N- 분자식
- C23H23N3O4S
- 평균 분자량
- 437.5 g/mol
이름 및 식별자
- 우선 이름
- ethyl 6-amino-5-cyano-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate
- IUPAC
- ethyl 6-amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2-methyl-4H-pyran-3-carboxylate
- 영어명
- ethyl 6-amino-5-cyano-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate
- 분자식
- C23H23N3O4S
- 분자량
- 437.51
이름 및 동의어
ethyl 6-amino-5-cyano-4-(4-methoxy-3-((pyridin-2-ylthio)methyl)phenyl)-2-methyl-4H-pyran-3-carboxylateethyl 6-amino-5-cyano-4-{4-methoxy-3-[(2-pyridinylsulfanyl)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylateMLS000587533CHEMBL1335898HMS2600K11STL164329AKOS003792430330181-26-5ethyl 6-amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)phenyl]-2-methyl-4H-pyran-3-carboxylateSMR000211586AK-968/121212716-Amino-5-cyano-4-[4-methoxy-3-(pyridin-2-ylsulfanylmethyl)-phenyl]-2-methyl-4H-pyran-3-carboxylic acid ethyl ester
이름 더 보기
4H-Pyran-3-carboxylic acid, 6-amino-5-cyano-4-[4-methoxy-3-[(2-pyridinylthio)methyl]phenyl]-2-methyl-, ethyl ester
ETHYL 6-AMINO-5-CYANO-4-{4-METHOXY-3-[(2-PYRIDYLSULFANYL)METHYL]PHENYL}-2-METHYL-4H-PYRAN-3-CARBOXYLATEethyl 6-amino-5-cyano-4-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}-2-methyl-4H-pyran-3-carboxylate
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 772
물리화학적 성질
- 끓는 점
- 663.7 · 663.7±55.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.83 · 2.83±0.19(Predicted)
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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