N-[(2-chlorophenyl)methyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
N-[(2-chlorophenyl)methyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K288-0197 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide |
| Molecular Weight: | 373.86 |
| Molecular Formula: | C18 H16 Cl N3 O2 S |
| Smiles: | C(CN1C(c2ccccc2NC1=S)=O)C(NCc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3839 |
| logD: | 3.3825 |
| logSw: | -3.8951 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.768 |
| InChI Key: | JELZCTIMRMHGEN-UHFFFAOYSA-N |