4-({1-[(4-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-(propan-2-yl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-({1-[(4-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-(propan-2-yl)cyclohexane-1-carboxamide
4-({1-[(4-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-(propan-2-yl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | G346-0348 |
| Compound Name: | 4-({1-[(4-cyanophenyl)methyl]-2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}methyl)-N-(propan-2-yl)cyclohexane-1-carboxamide |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | CC(C)NC(C1CCC(CC1)CN1C(c2c(ccs2)N(Cc2ccc(C#N)cc2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3742 |
| logD: | 4.3742 |
| logSw: | -4.1886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.193 |
| InChI Key: | FSJABWSBOSTHCC-UHFFFAOYSA-N |