2-[(4-benzylpiperazin-1-yl)methyl]-3-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-[(4-benzylpiperazin-1-yl)methyl]-3-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4(3H)-one
2-[(4-benzylpiperazin-1-yl)methyl]-3-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0272 |
| Compound Name: | 2-[(4-benzylpiperazin-1-yl)methyl]-3-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 515.57 |
| Molecular Formula: | C28 H29 N5 O5 |
| Smiles: | COc1ccc(c(c1)OC)N1C(CN2CCN(CC2)Cc2ccccc2)=Nc2ccc(cc2C1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.879 |
| logD: | 2.7996 |
| logSw: | -3.5466 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.394 |
| InChI Key: | GWQMSUVFDKOZEE-UHFFFAOYSA-N |