N-[2-(benzylsulfanyl)ethyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
N-[2-(benzylsulfanyl)ethyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide
Compound characteristics
| Compound ID: | K288-0327 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanamide |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | C(CN1C(c2ccccc2NC1=S)=O)C(NCCSCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9015 |
| logD: | 2.9001 |
| logSw: | -3.6762 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.609 |
| InChI Key: | IDPKVYMYFPUUEZ-UHFFFAOYSA-N |