2-{[4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
기본 정보
- CAS
332936-84-2- 표준 SMILES
Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C- InChIKey
AAUJAUVDTKGZIC-UHFFFAOYSA-N- 분자식
- C21H19N5OS2
- 평균 분자량
- 421.5 g/mol
이름 및 식별자
- 우선 이름
- 2-{[4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
- IUPAC
- 2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
- 영어명
- 2-{[4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
- 분자식
- C21H19N5OS2
- 분자량
- 421.54
이름 및 동의어
2-{[4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-phenyl-1,3-thiazol-2-yl)acetamide332936-84-22-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamideSTK122847STL045257AKOS000587683AKOS005698409AG-690/406968182-((4-methyl-5-(o-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenylthiazol-2-yl)acetamide2-{[4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(2Z)-4-phenyl-1,3-thiazol-2(3H)-ylidene]acetamideAcetamide, 2-[[4-methyl-5-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-N-(4-phenyl-2-thiazolyl)-
데이터베이스 식별자
- CAS
332936-84-2
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 547
물리화학적 성질
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.37 · 7.37±0.50(Predicted)
관련 반응
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