N-(4-fluorophenyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
N-(4-fluorophenyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K284-3000 |
| Compound Name: | N-(4-fluorophenyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H22 F N3 O2 S |
| Smiles: | C1CC(CCC1CN1C(c2ccccc2NC1=S)=O)C(Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5545 |
| logD: | 4.5534 |
| logSw: | -4.5955 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.601 |
| InChI Key: | VKRGOOYOPWFVDE-UHFFFAOYSA-N |