3-(3,5-dimethoxyphenyl)-6-nitro-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-6-nitro-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4(3H)-one
3-(3,5-dimethoxyphenyl)-6-nitro-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0141 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-6-nitro-2-[(4-phenylpiperazin-1-yl)methyl]quinazolin-4(3H)-one |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C27 H27 N5 O5 |
| Smiles: | COc1cc(cc(c1)OC)N1C(CN2CCN(CC2)c2ccccc2)=Nc2ccc(cc2C1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5122 |
| logD: | 3.5122 |
| logSw: | -3.9097 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.328 |
| InChI Key: | IKXLVIKHBOFJPH-UHFFFAOYSA-N |