ethyl 4-{2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
ethyl 4-{2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | C284-0407 |
| Compound Name: | ethyl 4-{2-[(4-ethylpiperazin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate |
| Molecular Weight: | 465.51 |
| Molecular Formula: | C24 H27 N5 O5 |
| Smiles: | CCN1CCN(CC1)CC1=Nc2ccc(cc2C(N1c1ccc(cc1)C(=O)OCC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2418 |
| logD: | 1.6648 |
| logSw: | -2.9302 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 86.27 |
| InChI Key: | NQLYEVAWDIQQER-UHFFFAOYSA-N |