N-(2-methylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(2-methylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-(2-methylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K292-1598 |
| Compound Name: | N-(2-methylcyclohexyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 419.61 |
| Molecular Formula: | C21 H29 N3 O2 S2 |
| Smiles: | CC1CCCCC1NC(C1CCC(CC1)CN1C(c2c(ccs2)NC1=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5651 |
| logD: | 4.5644 |
| logSw: | -4.1928 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.057 |
| InChI Key: | XCXKJLOEFBJUCG-UHFFFAOYSA-N |