2-[1-(3-Chloro-4-methyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-thiazol-2-yl-acetamide
기본 정보
- CAS
370092-42-5- 표준 SMILES
Cc1ccc(-n2nnnc2SCC(=O)Nc2nccs2)cc1Cl- InChIKey
SMWDTUKTAAWMLN-UHFFFAOYSA-N- 분자식
- C13H11ClN6OS2
- 평균 분자량
- 366.9 g/mol
이름 및 식별자
- 우선 이름
- 2-[1-(3-Chloro-4-methyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-thiazol-2-yl-acetamide
- IUPAC
- 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
- 영어명
- 2-{[1-(3-chloro-4-methylphenyl)-1H-tetraazol-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
- 분자식
- C13H11ClN6OS2
- 분자량
- 366.85
이름 및 동의어
WAY-3207062-[1-(3-Chloro-4-methyl-phenyl)-1H-tetrazol-5-ylsulfanyl]-N-thiazol-2-yl-acetamide2-{[1-(3-CHLORO-4-METHYLPHENYL)-1H-1,2,3,4-TETRAZOL-5-YL]SULFANYL}-N-(1,3-THIAZOL-2-YL)ACETAMIDESMWDTUKTAAWMLN-UHFFFAOYSA-NMFCD02220986AKOS0016191852-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamideAN-988/14609026SR-01000457769SR-01000457769-12-((1-(3-Chloro-4-methylphenyl)-1H-tetrazol-5-yl)thio)-N-(thiazol-2-yl)acetamide2-([1-(3-Chloro-4-methylphenyl)-1H-tetraazol-5-yl]sulfanyl)-N-(1,3-thiazol-2-yl)acetamide #
이름 더 보기
Acetamide, 2-[[1-(3-chloro-4-methylphenyl)-1H-tetrazol-5-yl]thio]-N-2-thiazolyl-
2-{[1-(3-chloro-4-methylphenyl)-1H-tetraazol-5-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide370092-42-5
데이터베이스 식별자
- CAS
370092-42-5
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 139 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 420
물리화학적 성질
- 밀도
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 7.35 · 7.35±0.50(Predicted)
관련 반응
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