기본 정보
- CAS
347330-57-8- 표준 SMILES
CCOC(=O)C1=CN(c2cc(C)ccc2C)C=C(C(=O)OCC)C1c1ccc(OCC)c(OC)c1- InChIKey
CDMXVPRJKURXLD-UHFFFAOYSA-N- 분자식
- C28H33NO6
- 평균 분자량
- 479.6 g/mol
이름 및 식별자
- 우선 이름
- diethyl 1-(2,5-dimethylphenyl)-4-(4-ethoxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
- IUPAC
- diethyl 1-(2,5-dimethylphenyl)-4-(4-ethoxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylate
- 영어명
- diethyl 1-(2,5-dimethylphenyl)-4-(4-ethoxy-3-methoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
- 분자식
- C28H33NO6
- 분자량
- 479.56
이름 및 동의어
diethyl 1-(2,5-dimethylphenyl)-4-(4-ethoxy-3-methoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylateSCHEMBL3325460STK091494AKOS001655521diethyl 1-(2,5-dimethylphenyl)-4-(4-ethoxy-3-methoxyphenyl)-4H-pyridine-3,5-dicarboxylateST052471AG-205/40775802SR-01000471748SR-01000471748-13,5-DIETHYL 1-(2,5-DIMETHYLPHENYL)-4-(4-ETHOXY-3-METHOXYPHENYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATEdiethyl 1-(2,5-dimethylphenyl)-4-(4-ethoxy-3-methoxyphenyl)-1,4-dihydro-3,5-pyridinedicarboxylateethyl 1-(2,5-dimethylphenyl)-5-(ethoxycarbonyl)-4-(4-ethoxy-3-methoxyphenyl)-1 ,4-dihydropyridine-3-carboxylate
이름 더 보기
3,5-Pyridinedicarboxylic acid, 1-(2,5-dimethylphenyl)-4-(4-ethoxy-3-methoxyphenyl)-1,4-dihydro-, 3,5-diethyl ester
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 74.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 756
물리화학적 성질
- 끓는 점
- 585.7 · 585.7±50.0 °C(Predicted)
- 밀도
- 1.159 · 1.159±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.79 · -1.79±0.70(Predicted)
화학 및 산업
공급사2 곳
SPECS[email protected]
VITAS-BB—
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