N-[2-(benzylsulfanyl)ethyl]-4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)butanamide
N-[2-(benzylsulfanyl)ethyl]-4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | K221-3094 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-4-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)butanamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | C(CC(NCCSCc1ccccc1)=O)CN1C(c2ccccc2NC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.282 |
| logD: | 2.2812 |
| logSw: | -3.1074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.772 |
| InChI Key: | PNOPWHLFOKLTOB-UHFFFAOYSA-N |