2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(3-methoxypropyl)acetamide
2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | C258-0560 |
| Compound Name: | 2-[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 475.99 |
| Molecular Formula: | C23 H26 Cl N3 O4 S |
| Smiles: | COCCCNC(CN1C(N(C(c2c3CCCCCc3sc12)=O)c1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6645 |
| logD: | 3.6645 |
| logSw: | -4.6303 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.286 |
| InChI Key: | WGGSRGYMILTOSW-UHFFFAOYSA-N |