N-[(furan-2-yl)methyl]-4-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]butanamide
N-[(furan-2-yl)methyl]-4-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-4641 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-[4-oxo-2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}quinazolin-3(4H)-yl]butanamide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C29 H31 N5 O4 S |
| Smiles: | C(CC(NCc1ccco1)=O)CN1C(=Nc2ccccc2C1=O)SCC(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7037 |
| logD: | 2.7037 |
| logSw: | -3.5953 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.622 |
| InChI Key: | WWTUJWLGJCNPAC-UHFFFAOYSA-N |