N-[(3,4-dichlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Chemical Structure Depiction of
N-[(3,4-dichlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
N-[(3,4-dichlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Compound characteristics
| Compound ID: | K288-0689 |
| Compound Name: | N-[(3,4-dichlorophenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide |
| Molecular Weight: | 456.35 |
| Molecular Formula: | C22 H15 Cl2 N3 O2 S |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])NC(c1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7239 |
| logD: | 4.7181 |
| logSw: | -5.0142 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.12 |
| InChI Key: | YLDKNUXWRCEBHU-UHFFFAOYSA-N |