3-(2,4-dimethoxyphenyl)-2-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2,4-dimethoxyphenyl)-2-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one
3-(2,4-dimethoxyphenyl)-2-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0176 |
| Compound Name: | 3-(2,4-dimethoxyphenyl)-2-{[4-(2,5-dimethylphenyl)piperazin-1-yl]methyl}-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 529.6 |
| Molecular Formula: | C29 H31 N5 O5 |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)CC1=Nc2ccc(cc2C(N1c1ccc(cc1OC)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3559 |
| logD: | 4.3558 |
| logSw: | -4.3232 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.813 |
| InChI Key: | YMMMUVPWXHNALB-UHFFFAOYSA-N |