CBMicro_038261
methyl 2-[[11-benzyl-4-(4-methoxyphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate
Also Known As: CBMicro_038261|Oprea1_174587|BIM-0038242.P001|methyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate|methyl 2-((7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate|methyl 2-[[7-benzyl-3-(4-methoxyphenyl)-4-oxo-6,8-dihydro-5H-pyrido[2,3]thieno[2,4-b]pyrimidin-2-yl]sulfanyl]acetate
| Molecular Formula | C26H25N3O4S2 |
|---|---|
| Molecular Weight | 507.12866 g/mol |
| LogP | 4.2792 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.12866 |
| Monoisotopic Mass | 507.12866 |
| Heavy Atoms | 35 |
| Complexity | 1414.8087 |
Chemical Identifiers
| CAS Number | 372154-97-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)OC)SC4=C3CCN(C4)CC5=CC=CC=C5 |
Product Overview
CBMicro_038261 (CAS 372154-97-7), with molecular formula C26H25N3O4S2 and molecular weight 507.12866 g/mol. IUPAC: methyl 2-[[11-benzyl-4-(4-methoxyphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate.
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