N-butyl-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-butyl-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-butyl-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K292-1585 |
| Compound Name: | N-butyl-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 379.54 |
| Molecular Formula: | C18 H25 N3 O2 S2 |
| Smiles: | CCCCNC(C1CCC(CC1)CN1C(c2c(ccs2)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9486 |
| logD: | 3.9479 |
| logSw: | -3.8471 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.055 |
| InChI Key: | XPYVWTPDGBJFCN-UHFFFAOYSA-N |