N-benzyl-4-{[1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C200-5288 |
| Compound Name: | N-benzyl-4-{[1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 617.74 |
| Molecular Formula: | C33 H36 F N5 O4 S |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)N(CC(N2CCN(CC2)c2ccccc2F)=O)C1=O)=O)C(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.514 |
| logD: | 4.514 |
| logSw: | -4.3173 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.243 |
| InChI Key: | GUPDAFDBQCKYKZ-UHFFFAOYSA-N |