N-[(3,4-dimethoxyphenyl)methyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethoxyphenyl)methyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-[(3,4-dimethoxyphenyl)methyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C200-5437 |
| Compound Name: | N-[(3,4-dimethoxyphenyl)methyl]-4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | COc1ccc(CNC(C2CCC(CC2)CN2C(c3c(ccs3)NC2=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0973 |
| logD: | 3.0968 |
| logSw: | -3.3312 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.365 |
| InChI Key: | KIRXZOMRDBCKPO-UHFFFAOYSA-N |