N-{[4-(dimethylamino)phenyl]methyl}-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-{[4-(dimethylamino)phenyl]methyl}-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C200-5436 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | CN(C)c1ccc(CNC(C2CCC(CC2)CN2C(c3c(ccs3)NC2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5724 |
| logD: | 3.5565 |
| logSw: | -3.7523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.909 |
| InChI Key: | YJVHYFHXPOPEIZ-UHFFFAOYSA-N |