ethyl 4-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C284-0076 |
| Compound Name: | ethyl 4-{[3-(2-fluorophenyl)-6-nitro-4-oxo-3,4-dihydroquinazolin-2-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 455.44 |
| Molecular Formula: | C22 H22 F N5 O5 |
| Smiles: | CCOC(N1CCN(CC1)CC1=Nc2ccc(cc2C(N1c1ccccc1F)=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0659 |
| logD: | 2.0659 |
| logSw: | -3.0712 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.459 |
| InChI Key: | NKBJJCPZYILOSK-UHFFFAOYSA-N |