4-[(6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}benzamide
Chemical Structure Depiction of
4-[(6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}benzamide
4-[(6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}benzamide
Compound characteristics
| Compound ID: | C191-0221 |
| Compound Name: | 4-[(6,7-dimethoxy-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}benzamide |
| Molecular Weight: | 575.64 |
| Molecular Formula: | C31 H34 F N5 O5 |
| Smiles: | COc1cc2C(N(Cc3ccc(cc3)C(NCCCN3CCN(CC3)c3ccccc3F)=O)C(Nc2cc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2261 |
| logD: | 2.9249 |
| logSw: | -3.6234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.938 |
| InChI Key: | KKCJRBFFQOQCGI-UHFFFAOYSA-N |