N-[2-(benzylsulfanyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
N-[2-(benzylsulfanyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Compound characteristics
| Compound ID: | K288-0637 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide |
| Molecular Weight: | 447.58 |
| Molecular Formula: | C24 H21 N3 O2 S2 |
| Smiles: | C(CSCc1ccccc1)NC(c1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8233 |
| logD: | 3.8175 |
| logSw: | -4.2248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.961 |
| InChI Key: | MZGLBQHVIWEXHS-UHFFFAOYSA-N |