2-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-3-(2-fluorophenyl)-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-3-(2-fluorophenyl)-6-nitroquinazolin-4(3H)-one
2-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-3-(2-fluorophenyl)-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0178 |
| Compound Name: | 2-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-3-(2-fluorophenyl)-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C27 H26 F N5 O3 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)CC1=Nc2ccc(cc2C(N1c1ccccc1F)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3214 |
| logD: | 4.3214 |
| logSw: | -4.2883 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.638 |
| InChI Key: | WFFCXPSOCGRXAQ-UHFFFAOYSA-N |