6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
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기본 정보
- CAS
332051-03-3- 표준 SMILES
CCCCc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)C(C(=O)Nc3ccccc3OC)=C(C)N2)cc1- InChIKey
DPGNUERMBGTKOH-UHFFFAOYSA-N- 분자식
- C31H31N3O4S
- 평균 분자량
- 541.7 g/mol
이름 및 식별자
- 우선 이름
- 6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
- IUPAC
- 6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
- 영어명
- 6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-furyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydro-3-pyridinecarboxamide
- 분자식
- C31H31N3O4S
- 분자량
- 541.66
이름 및 동의어
6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-5-cyano-4-(2-furyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydro-3-pyridinecarboxamide6-{[2-(4-butylphenyl)-2-oxoethyl]sulfanyl}-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamideOprea1_084309Oprea1_501638STK725799AKOS000526493AKOS0219978676-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamideST074897AE-848/11827075SR-01000484430SR-01000484430-1
이름 더 보기
3-Pyridinecarboxamide, 6-[[2-(4-butylphenyl)-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-
{6-[2-(4-butylphenyl)-2-oxoethylthio]-5-cyano-4-(2-furyl)-2-methyl(3-1,4-dihyd ropyridyl)}-N-(2-methoxyphenyl)carboxamide6-((2-(4-butylphenyl)-2-oxoethyl)thio)-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide
물성
구조 계산 물성보충 중
- XLogP
- 6.1
- 극성 표면적
- 130 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 991
물리화학적 성질
- 끓는 점
- 745.9 · 745.9±60.0 °C(Predicted)
- 밀도
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.56 · 13.56±0.70(Predicted)
관련 반응
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