N-[(furan-2-yl)methyl]-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}benzamide
N-[(furan-2-yl)methyl]-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-7208 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-{[4-oxo-2-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)quinazolin-3(4H)-yl]methyl}benzamide |
| Molecular Weight: | 552.65 |
| Molecular Formula: | C31 H28 N4 O4 S |
| Smiles: | C(CNC(CSC1=Nc2ccccc2C(N1Cc1ccc(cc1)C(NCc1ccco1)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8692 |
| logD: | 3.8691 |
| logSw: | -4.1493 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.246 |
| InChI Key: | DWCMXUPSHDGNBJ-UHFFFAOYSA-N |