N-[(2-fluorophenyl)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-[(2-fluorophenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-[(2-fluorophenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K292-1673 |
| Compound Name: | N-[(2-fluorophenyl)methyl]-4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C21 H22 F N3 O2 S2 |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)NC1=S)=O)C(NCc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2704 |
| logD: | 4.2698 |
| logSw: | -4.3736 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.942 |
| InChI Key: | SJIULTCAXGIUNW-UHFFFAOYSA-N |