N-(3-chloro-4-fluorophenyl)-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
N-(3-chloro-4-fluorophenyl)-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K284-2852 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide |
| Molecular Weight: | 377.82 |
| Molecular Formula: | C17 H13 Cl F N3 O2 S |
| Smiles: | C(CN1C(c2ccccc2NC1=S)=O)C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6318 |
| logD: | 3.5991 |
| logSw: | -4.1583 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.446 |
| InChI Key: | YTFFRBNHPRFPQA-UHFFFAOYSA-N |