ethyl 4-[6-nitro-4-oxo-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate
Chemical Structure Depiction of
ethyl 4-[6-nitro-4-oxo-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate
ethyl 4-[6-nitro-4-oxo-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate
Compound characteristics
| Compound ID: | C284-0491 |
| Compound Name: | ethyl 4-[6-nitro-4-oxo-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-3(4H)-yl]benzoate |
| Molecular Weight: | 515.53 |
| Molecular Formula: | C26 H25 N7 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCN(CC2)c2ncccn2)=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.879 |
| logD: | 2.8789 |
| logSw: | -3.3889 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.356 |
| InChI Key: | RPZCDDBHKCAYBF-UHFFFAOYSA-N |