ethyl 4-{2-[(4-carbamoylpiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4-carbamoylpiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
ethyl 4-{2-[(4-carbamoylpiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | C284-0107 |
| Compound Name: | ethyl 4-{2-[(4-carbamoylpiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate |
| Molecular Weight: | 479.49 |
| Molecular Formula: | C24 H25 N5 O6 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCC(CC2)C(N)=O)=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5306 |
| logD: | 1.5282 |
| logSw: | -2.4443 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 116.792 |
| InChI Key: | ZAQPJACUOYWUOO-UHFFFAOYSA-N |