4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide
4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-2004 |
| Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-[(pyridin-3-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | C1CC(CCC1CN1C(c2ccccc2NC1=S)=O)C(NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9866 |
| logD: | 2.9831 |
| logSw: | -3.3946 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.441 |
| InChI Key: | MGSWTKYXQXPRIA-UHFFFAOYSA-N |