AC1M5QPI
N-(3,4-dimethylphenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide
Also Known As: AB00720856-01|N-(3,4-dimethylphenyl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),2(6),8,10-tetraen-12-yl}sulfanyl)acetamide|N-(3,4-dimethylphenyl)-2-({10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-yl}sulfanyl)acetamide|N-(3,4-dimethylphenyl)-2-(2-methyl(5,6,7-trihydrocyclopenta[2,1-d]pyrimidino[4 ,5-b]thiophen-4-ylthio))acetamide
| Molecular Formula | C20H21N3OS2 |
|---|---|
| Molecular Weight | 383.1126 g/mol |
| LogP | 4.83606 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.1126 |
| Monoisotopic Mass | 383.1126 |
| Heavy Atoms | 26 |
| Complexity | 1009.9492 |
Chemical Identifiers
| CAS Number | 453584-32-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC(=NC3=C2C4=C(S3)CCC4)C)C |
Product Overview
AC1M5QPI (CAS 453584-32-2), with molecular formula C20H21N3OS2 and molecular weight 383.1126 g/mol. IUPAC: N-(3,4-dimethylphenyl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide.
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