N-[(4-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
N-[(4-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Compound characteristics
| Compound ID: | K288-0437 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C23 H19 N3 O3 S |
| Smiles: | COc1ccc(CNC(c2ccc(cc2)N2C(c3ccccc3NC2=S)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3473 |
| logD: | 3.3415 |
| logSw: | -3.8254 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.664 |
| InChI Key: | CYSBZEMSQUZIQN-UHFFFAOYSA-N |