ethyl 4-[6-nitro-4-oxo-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[6-nitro-4-oxo-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate
ethyl 4-[6-nitro-4-oxo-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | C284-0299 |
| Compound Name: | ethyl 4-[6-nitro-4-oxo-2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate |
| Molecular Weight: | 514.54 |
| Molecular Formula: | C27 H26 N6 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCN(CC2)c2ccccn2)=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3819 |
| logD: | 3.3612 |
| logSw: | -3.7403 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.505 |
| InChI Key: | OEGGRNGSRZJWST-UHFFFAOYSA-N |