N-[(4-methoxyphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-[(4-methoxyphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K292-1594 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 443.59 |
| Molecular Formula: | C22 H25 N3 O3 S2 |
| Smiles: | COc1ccc(CNC(C2CCC(CC2)CN2C(c3c(ccs3)NC2=S)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8784 |
| logD: | 3.8778 |
| logSw: | -4.0616 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.486 |
| InChI Key: | YTUYOEYPDBKGOB-UHFFFAOYSA-N |