N-[2-(benzylsulfanyl)ethyl]-3-{1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-3-{1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide
N-[2-(benzylsulfanyl)ethyl]-3-{1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide
Compound characteristics
| Compound ID: | C260-1776 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-3-{1-[2-(4-fluorophenyl)-2-oxoethyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}propanamide |
| Molecular Weight: | 519.59 |
| Molecular Formula: | C28 H26 F N3 O4 S |
| Smiles: | C(CN1C(c2ccccc2N(CC(c2ccc(cc2)F)=O)C1=O)=O)C(NCCSCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.19 |
| logD: | 3.19 |
| logSw: | -3.7383 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.805 |
| InChI Key: | KYQJQKWHMDJKKC-UHFFFAOYSA-N |