N-benzyl-4-{[2,4-dioxo-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-benzyl-4-{[2,4-dioxo-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
N-benzyl-4-{[2,4-dioxo-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C200-5285 |
| Compound Name: | N-benzyl-4-{[2,4-dioxo-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl]methyl}cyclohexane-1-carboxamide |
| Molecular Weight: | 572.73 |
| Molecular Formula: | C32 H36 N4 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CN1C(N(CC2CCC(CC2)C(NCc2ccccc2)=O)C(c2c1ccs2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.11 |
| logD: | 6.11 |
| logSw: | -5.5185 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.04 |
| InChI Key: | OELWMNUYRUCCOW-UHFFFAOYSA-N |