5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide
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기본 정보
- CAS
375361-86-7- 표준 SMILES
CC1=C(C(=O)Nc2ccccc2C)C(c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1- InChIKey
KSWWONMWXYVMDY-UHFFFAOYSA-N- 분자식
- C28H25N3O3S
- 평균 분자량
- 483.6 g/mol
이름 및 식별자
- 우선 이름
- 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide
- IUPAC
- 5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamide
- 영어명
- 5-cyano-4-(2-furyl)-2-methyl-N-(2-methylphenyl)-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,4-dihydro-3-pyridinecarboxamide
- 분자식
- C28H25N3O3S
- 분자량
- 483.58
이름 및 동의어
5-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,4-dihydropyridine-3-carboxamide5-cyano-4-(2-furyl)-2-methyl-N-(2-methylphenyl)-6-{[2-(4-methylphenyl)-2-oxoethyl]sulfanyl}-1,4-dihydro-3-pyridinecarboxamideOprea1_220993Oprea1_689463STK764697AKOS001740289AKOS0220148955-cyano-4-(furan-2-yl)-2-methyl-N-(2-methylphenyl)-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carboxamideST051159AG-205/40650083SR-01000532931SR-01000532931-1
이름 더 보기
3-Pyridinecarboxamide, 5-cyano-4-(2-furanyl)-1,4-dihydro-2-methyl-N-(2-methylphenyl)-6-[[2-(4-methylphenyl)-2-oxoethyl]thio]-
{5-cyano-4-(2-furyl)-2-methyl-6-[2-(4-methylphenyl)-2-oxoethylthio](3-1,4-dihy dropyridyl)}-N-(2-methylphenyl)carboxamide5-cyano-4-(furan-2-yl)-2-methyl-6-((2-oxo-2-(p-tolyl)ethyl)thio)-N-(o-tolyl)-1,4-dihydropyridine-3-carboxamide
물성
구조 계산 물성보충 중
- XLogP
- 5
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 925
물리화학적 성질
- 끓는 점
- 701.2 · 701.2±60.0 °C(Predicted)
- 밀도
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.19 · 14.19±0.70(Predicted)
관련 반응
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