2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide
2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C200-3940 |
| Compound Name: | 2-{[7-acetyl-3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[(2-chlorophenyl)methyl]acetamide |
| Molecular Weight: | 583.13 |
| Molecular Formula: | C28 H27 Cl N4 O4 S2 |
| Smiles: | CCOc1ccc(cc1)N1C(=Nc2c(C1=O)c1CCN(Cc1s2)C(C)=O)SCC(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3395 |
| logD: | 4.3395 |
| logSw: | -4.6709 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.707 |
| InChI Key: | UGUVQPNVXSSPGY-UHFFFAOYSA-N |