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]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]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]acetamide
Compound characteristics
| Compound ID: | C728-0726 |
| 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]acetamide |
| Molecular Weight: | 446.91 |
| Molecular Formula: | C20 H19 Cl N4 O4 S |
| Smiles: | CC(N1CCc2c3C(N(C(N(CC(N)=O)c3sc2C1)=O)c1cccc(c1C)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8185 |
| logD: | 1.8185 |
| logSw: | -2.8834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.515 |
| InChI Key: | LPKIACBBMDKIKG-UHFFFAOYSA-N |