2-[(4-benzylpiperidin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-[(4-benzylpiperidin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
2-[(4-benzylpiperidin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0283 |
| Compound Name: | 2-[(4-benzylpiperidin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C28 H28 N4 O4 |
| Smiles: | COc1cccc(c1)N1C(CN2CCC(CC2)Cc2ccccc2)=Nc2ccc(cc2C1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6843 |
| logD: | 4.6841 |
| logSw: | -4.5452 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.252 |
| InChI Key: | QJJYOGXVLKZZBY-UHFFFAOYSA-N |