3-(2,4-dimethoxyphenyl)-2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2,4-dimethoxyphenyl)-2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one
3-(2,4-dimethoxyphenyl)-2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0422 |
| Compound Name: | 3-(2,4-dimethoxyphenyl)-2-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 519.53 |
| Molecular Formula: | C27 H26 F N5 O5 |
| Smiles: | COc1ccc(c(c1)OC)N1C(CN2CCN(CC2)c2ccccc2F)=Nc2ccc(cc2C1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3765 |
| logD: | 3.3764 |
| logSw: | -3.8859 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.813 |
| InChI Key: | KDRMRQJYNDQPET-UHFFFAOYSA-N |