2-[7-acetyl-3-(3-chloro-2-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethylphenyl)acetamide
Chemical Structure Depiction of
2-[7-acetyl-3-(3-chloro-2-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethylphenyl)acetamide
2-[7-acetyl-3-(3-chloro-2-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | K305-0509 |
| Compound Name: | 2-[7-acetyl-3-(3-chloro-2-methylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-1(2H)-yl]-N-(4-ethylphenyl)acetamide |
| Molecular Weight: | 551.06 |
| Molecular Formula: | C28 H27 Cl N4 O4 S |
| Smiles: | CCc1ccc(cc1)NC(CN1C(N(C(c2c3CCN(Cc3sc12)C(C)=O)=O)c1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1049 |
| logD: | 5.1049 |
| logSw: | -5.6281 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.005 |
| InChI Key: | QWSVRVOTDGSYIN-UHFFFAOYSA-N |