5-cyano-4-(2-fluorophenyl)-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
기본 정보
- CAS
663217-73-0- 표준 SMILES
CC1=C(C(=O)Nc2ccccc2C)C(c2ccccc2F)C(C#N)=C(SCC(=O)Nc2ccc(F)cc2)N1- InChIKey
NFGMGWBIXJNURP-UHFFFAOYSA-N- 분자식
- C29H24F2N4O2S
- 평균 분자량
- 530.6 g/mol
이름 및 식별자
- 우선 이름
- 5-cyano-4-(2-fluorophenyl)-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
- IUPAC
- 5-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide
- 영어명
- 5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydro-3-pyridinecarboxamide
- 분자식
- C29H24F2N4O2S
- 분자량
- 530.59
이름 및 동의어
5-cyano-4-(2-fluorophenyl)-6-({2-[(4-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamideOprea1_078452Oprea1_569453AE-848/41827122STK827695AKOS0056343835-cyano-6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydropyridine-3-carboxamide5-cyano-6-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-4-(2-fluorophenyl)-2-methyl-N-(2-methylphenyl)-1,4-dihydro-3-pyridinecarboxamide3-Pyridinecarboxamide, 5-cyano-4-(2-fluorophenyl)-6-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N-(2-methylphenyl)-
데이터베이스 식별자
- CAS
663217-73-0
물성
구조 계산 물성
- XLogP
- 5.2
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 998
물리화학적 성질
- 끓는 점
- 741 · 741.0±60.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.94 · 12.94±0.70(Predicted)
관련 반응
0건
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