ethyl 4-{2-[(4-hydroxypiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4-hydroxypiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
ethyl 4-{2-[(4-hydroxypiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | C284-0233 |
| Compound Name: | ethyl 4-{2-[(4-hydroxypiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate |
| Molecular Weight: | 452.47 |
| Molecular Formula: | C23 H24 N4 O6 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCC(CC2)O)=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6575 |
| logD: | 1.6571 |
| logSw: | -2.5813 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.456 |
| InChI Key: | YVXAVAPYLXRZNS-UHFFFAOYSA-N |