4-({1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-methylcyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-methylcyclohexane-1-carboxamide
4-({1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-methylcyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G346-0197 |
| Compound Name: | 4-({1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-methylcyclohexane-1-carboxamide |
| Molecular Weight: | 463.96 |
| Molecular Formula: | C22 H23 Cl F N3 O3 S |
| Smiles: | CNC(C1CCC(CC1)CN1C(c2c(ccs2)N(Cc2ccc(cc2[Cl])F)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6413 |
| logD: | 4.6413 |
| logSw: | -4.791 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.313 |
| InChI Key: | BESQNCZSSMVCOJ-UHFFFAOYSA-N |