N-[(3,4-dichlorophenyl)methyl]-2-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)acetamide
Chemical Structure Depiction of
N-[(3,4-dichlorophenyl)methyl]-2-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)acetamide
N-[(3,4-dichlorophenyl)methyl]-2-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)acetamide
Compound characteristics
| Compound ID: | K288-0296 |
| Compound Name: | N-[(3,4-dichlorophenyl)methyl]-2-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)acetamide |
| Molecular Weight: | 394.28 |
| Molecular Formula: | C17 H13 Cl2 N3 O2 S |
| Smiles: | C(c1ccc(c(c1)[Cl])[Cl])NC(CN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8019 |
| logD: | 3.8013 |
| logSw: | -4.337 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.789 |
| InChI Key: | PHQNSKVYWRTSFI-UHFFFAOYSA-N |