기본 정보
- CAS
313379-45-2- 표준 SMILES
CCOC(=O)C1=C(C)NC(SCC(=O)C23CC4CC(CC(C4)C2)C3)=C(C#N)C1c1cccs1- InChIKey
NBOCOJRYFQUFAW-UHFFFAOYSA-N- 분자식
- C26H30N2O3S2
- 평균 분자량
- 482.7 g/mol
이름 및 식별자
- 우선 이름
- Ethyl 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
- IUPAC
- ethyl 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylate
- 영어명
- ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylate
- 분자식
- C26H30N2O3S2
- 분자량
- 482.66
이름 및 동의어
ethyl 6-{[2-(1-adamantyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihydro-3-pyridinecarboxylateChemDiv1_002373Oprea1_133812Oprea1_628190HMS593L19STL324641AKOS000675567AKOS016349152ethyl 6-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-5-cyano-2-methyl-4-thiophen-2-yl-1,4-dihydropyridine-3-carboxylateST070409AK-777/37037018SR-01000423331
이름 더 보기
3-Pyridinecarboxylic acid, 5-cyano-1,4-dihydro-2-methyl-6-[(2-oxo-2-tricyclo[3.3.1.13,7]dec-1-ylethyl)thio]-4-(2-thienyl)-, ethyl ester
SR-01000423331-1ethyl 5-cyano-2-methyl-6-{[2-oxo-2-(tricyclo[3.3.1.1~3,7~]dec-1-yl)ethyl]sulfanyl}-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylateethyl 6-((2-((3r,5r,7r)-adamantan-1-yl)-2-oxoethyl)thio)-5-cyano-2-methyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxylateethyl 6-(2-adamantanyl-2-oxoethylthio)-5-cyano-2-methyl-4-(2-thienyl)-1,4-dihy dropyridine-3-carboxylate
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 919
화학 및 산업
공급사2 곳
Interbioscreen Ltd.[email protected]
SPECS[email protected]
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