4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide
4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K292-1579 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C20 H22 N4 O2 S2 |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)NC1=S)=O)C(NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6683 |
| logD: | 2.6652 |
| logSw: | -2.6832 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.46 |
| InChI Key: | DIWCCHQTSRIXSZ-UHFFFAOYSA-N |