ethyl 4-{6-nitro-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-3(4H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{6-nitro-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-3(4H)-yl}benzoate
ethyl 4-{6-nitro-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | C284-0143 |
| Compound Name: | ethyl 4-{6-nitro-4-oxo-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-3(4H)-yl}benzoate |
| Molecular Weight: | 513.55 |
| Molecular Formula: | C28 H27 N5 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCN(CC2)c2ccccc2)=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7143 |
| logD: | 3.7143 |
| logSw: | -3.9178 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.994 |
| InChI Key: | NGEPMGALBWNYNV-UHFFFAOYSA-N |