기본 정보
- CAS
585554-57-0- 표준 SMILES
Cc1cc(C)nc(SCC(=O)Nc2nc3c(s2)CC(C)CC3)n1- InChIKey
CUHGOPTVRRVEIS-UHFFFAOYSA-N- 분자식
- C16H20N4OS2
- 평균 분자량
- 348.5 g/mol
- 단동위원소 질량
- 348.10785362
이름 및 식별자
- 우선 이름
- 2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
- IUPAC
- 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
- 영어명
- 2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
- 분자식
- C16H20N4OS2
- 분자량
- 348.49
이름 및 동의어
2-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide585554-57-02-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamideSTK135880STL043501AKOS002227759AKOS005696921AKOS0163017342-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamideST50106471AJ-292/42032236SR-01000269247
이름 더 보기
Acetamide, 2-[(4,6-dimethyl-2-pyrimidinyl)thio]-N-(4,5,6,7-tetrahydro-6-methyl-2-benzothiazolyl)-
SR-01000269247-12-((4,6-dimethylpyrimidin-2-yl)thio)-N-(6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)acetamide2-(4,6-dimethylpyrimidin-2-ylthio)-N-(6-methyl(4,5,6,7-tetrahydrobenzothiazol- 2-yl))acetamide2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[(2E)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-ylidene]acetamide2-[(4,6-dimethylpyrimidin-2-yl)thio]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 415
물리화학적 성질
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.03 · 8.03±0.40(Predicted)
화학 및 산업
공급사4 곳
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