N-[(2-chlorophenyl)methyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-[(2-chlorophenyl)methyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C172-0214 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 431.94 |
| Molecular Formula: | C21 H22 Cl N3 O3 S |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)NC1=O)=O)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2644 |
| logD: | 4.2639 |
| logSw: | -4.3619 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.104 |
| InChI Key: | FNEOBPUVKXIHQZ-UHFFFAOYSA-N |