기본 정보
- CAS
381716-93-4- 표준 SMILES
Cc1ccc(NC(=O)CSc2nnc(C)c(=O)n2N)c(C)c1- InChIKey
XOIVWBIVVFVQEU-UHFFFAOYSA-N- 분자식
- C14H17N5O2S
- 평균 분자량
- 319.38 g/mol
- 단동위원소 질량
- 319.11029598
이름 및 식별자
- 우선 이름
- 2-((4-Amino-4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide
- IUPAC
- 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamide
이름 및 동의어
381716-93-42-[(4-Amino-4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio]-N-(2,4-dimethylphenyl)acetamide2-((4-Amino-4,5-dihydro-6-methyl-5-oxo-1,2,4-triazin-3-yl)thio)-N-(2,4-dimethylphenyl)acetamideRefChem:2493562-((4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)thio)-N-(2,4-dimethylphenyl)acetamide2-[(4-amino-6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamideZINC00392213MLS000588382CHEMBL1321942DTXSID601117206HMS2509M14STK972367
이름 더 보기
AKOS0022383232-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(2,4-dimethylphenyl)acetamideSMR000212228ST50113296AB00552281-02F1847-00262-(4-amino-6-methyl-5-oxo(1,2,4-triazin-3-ylthio))-N-(2,4-dimethylphenyl)aceta mide2-(4-Amino-6-methyl-5-oxo-4,5-dihydro-[1,2,4]triazin-3-ylsulfanyl)-N-(2,4-dimethyl-phenyl)-acetamide
데이터베이스 식별자
- CAS
381716-93-4- PubChem CID
- 853533
- DTXSID
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 519
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