2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-[(4-methylphenyl)methyl]acetamide
2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C200-0743 |
| Compound Name: | 2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C27 H27 N3 O3 S |
| Smiles: | Cc1ccc(CNC(CN2C(N(Cc3ccccc3)C(c3c4CCCCc4sc23)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1638 |
| logD: | 5.1638 |
| logSw: | -5.0303 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.111 |
| InChI Key: | MAHPSXHKSVJAQE-UHFFFAOYSA-N |