3-(2-fluorophenyl)-6-nitro-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2-fluorophenyl)-6-nitro-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one
3-(2-fluorophenyl)-6-nitro-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0519 |
| Compound Name: | 3-(2-fluorophenyl)-6-nitro-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C24 H28 F N5 O3 |
| Smiles: | CCC(CC)N1CCN(CC1)CC1=Nc2ccc(cc2C(N1c1ccccc1F)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0092 |
| logD: | 2.1079 |
| logSw: | -3.5796 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.712 |
| InChI Key: | FLBKCIODNUDDOO-UHFFFAOYSA-N |