ethyl 3-(4-fluorophenyl)-1-(2-methylpropyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Chemical Structure Depiction of
ethyl 3-(4-fluorophenyl)-1-(2-methylpropyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
ethyl 3-(4-fluorophenyl)-1-(2-methylpropyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate
Compound characteristics
| Compound ID: | C694-0231 |
| Compound Name: | ethyl 3-(4-fluorophenyl)-1-(2-methylpropyl)-2,4-dioxo-1,3,4,5,6,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(2H)-carboxylate |
| Molecular Weight: | 445.51 |
| Molecular Formula: | C22 H24 F N3 O4 S |
| Smiles: | CCOC(N1CCc2c3C(N(C(N(CC(C)C)c3sc2C1)=O)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1387 |
| logD: | 4.1387 |
| logSw: | -4.2238 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.013 |
| InChI Key: | KNCNPAMVUAVSBF-UHFFFAOYSA-N |