ethyl 4-{2-[(4-benzylpiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[(4-benzylpiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
ethyl 4-{2-[(4-benzylpiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate
Compound characteristics
| Compound ID: | C284-0287 |
| Compound Name: | ethyl 4-{2-[(4-benzylpiperidin-1-yl)methyl]-6-nitro-4-oxoquinazolin-3(4H)-yl}benzoate |
| Molecular Weight: | 526.59 |
| Molecular Formula: | C30 H30 N4 O5 |
| Smiles: | CCOC(c1ccc(cc1)N1C(CN2CCC(CC2)Cc2ccccc2)=Nc2ccc(cc2C1=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1218 |
| logD: | 5.1217 |
| logSw: | -5.1147 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.462 |
| InChI Key: | IKMZHVDIKJWOQS-UHFFFAOYSA-N |