4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C172-0229 |
| Compound Name: | 4-[(2,4-dioxo-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C22 H25 N3 O4 S |
| Smiles: | COc1ccc(CNC(C2CCC(CC2)CN2C(c3c(ccs3)NC2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4647 |
| logD: | 3.4643 |
| logSw: | -3.6342 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.648 |
| InChI Key: | VCQPBJJOFDZKRP-UHFFFAOYSA-N |