기본 정보
- CAS
162229-15-4- 표준 SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C)s1- InChIKey
LQARHQHLYDRCTA-UHFFFAOYSA-N- 분자식
- C16H19NO4S
- 평균 분자량
- 321.4 g/mol
- 단동위원소 질량
- 321.10347926
이름 및 식별자
- 우선 이름
- Dimethyl 2,6-dimethyl-4-(5-methyl-2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 2,6-dimethyl-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
- 영어명
- 2,6-dimethyl-4-(5-methyl-2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester
- 분자식
- C16H19NO4S
- 분자량
- 321.39
이름 및 동의어
dimethyl 2,6-dimethyl-4-(5-methyl-2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylate162229-15-4Dimethyl 2,6-dimethyl-4-(5-methylthiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate3,5-DIMETHYL 2,6-DIMETHYL-4-(5-METHYLTHIOPHEN-2-YL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-methyl-2-thienyl)-, dimethyl esterCHEMBL609004ALBB-027588MFCD27937023AKOS015997555dimethyl2,6-dimethyl-4-(5-methyl-2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylateDIMETHYLDIMETHYLMETHYLTHIENYLDIHYDROPYRIDINEDICARBOXYLATE 264521435()----------pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-methyl-2-thienyl)-, dimethyl ester
이름 더 보기
2,6-dimethyl-4-(5-methyl-2-thienyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-methyl-2-thienyl)-, 3,5-dimethyl ester
데이터베이스 식별자
- CAS
162229-15-4- PubChem CID
- 10313994
- ChEMBL
CHEMBL609004- Nikkaji
- J632.560B
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 92.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 514
물리화학적 성질
- 녹는점
- 179 · 179-180 °C
- 끓는 점
- 441.1 · 441.1±45.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.75 · 2.75±0.70(Predicted)
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