N-[2-(benzylsulfanyl)ethyl]-2-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-2-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)acetamide
N-[2-(benzylsulfanyl)ethyl]-2-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)acetamide
Compound characteristics
| Compound ID: | K288-0250 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-2-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)acetamide |
| Molecular Weight: | 385.51 |
| Molecular Formula: | C19 H19 N3 O2 S2 |
| Smiles: | C(CSCc1ccccc1)NC(CN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7425 |
| logD: | 2.7419 |
| logSw: | -3.5699 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.631 |
| InChI Key: | GMFGDAAENXRCRB-UHFFFAOYSA-N |