기본 정보
- CAS
383894-49-3- 표준 SMILES
Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccc(C(C)C)cc3)CC(=O)N2)cc1C- InChIKey
NINUQBMGASWQHF-UHFFFAOYSA-N- 분자식
- C25H27N3O2S
- 평균 분자량
- 433.6 g/mol
이름 및 식별자
- 우선 이름
- 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
- IUPAC
- 2-[[5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide
- 영어명
- 2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3,4-dimethylphenyl)acetamide
- 분자식
- C25H27N3O2S
- 분자량
- 433.57
이름 및 동의어
383894-49-32-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide2-((3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(3,4-dimethylphenyl)acetamideChemDiv1_009388HMS613K16STK565672STK886657AKOS001644656AKOS005491309AKOS0219979372-[[5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamideAO-022/40938734
이름 더 보기
Acetamide, 2-[[3-cyano-1,4,5,6-tetrahydro-4-[4-(1-methylethyl)phenyl]-6-oxo-2-pyridinyl]thio]-N-(3,4-dimethylphenyl)-
SR-01000484487SR-01000484487-1F1155-00622-({3-cyano-6-hydroxy-4-[4-(propan-2-yl)phenyl]-4,5-dihydropyridin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide2-{[3-cyano-4-(4-isopropylphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 745
물리화학적 성질
- 끓는 점
- 680 · 680.0±55.0 °C(Predicted)
- 밀도
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 11.16 · 11.16±0.70(Predicted)
화학 및 산업
공급사4 곳
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
SPECS[email protected]
IFLAB-BB[email protected]
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