2-[(4-benzylpiperazin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-[(4-benzylpiperazin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
2-[(4-benzylpiperazin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0271 |
| Compound Name: | 2-[(4-benzylpiperazin-1-yl)methyl]-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C27 H27 N5 O4 |
| Smiles: | COc1cccc(c1)N1C(CN2CCN(CC2)Cc2ccccc2)=Nc2ccc(cc2C1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9578 |
| logD: | 2.8784 |
| logSw: | -3.5735 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.064 |
| InChI Key: | AVGLCTPONXJEHU-UHFFFAOYSA-N |