3-(3,5-dimethoxyphenyl)-6-nitro-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(3,5-dimethoxyphenyl)-6-nitro-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one
3-(3,5-dimethoxyphenyl)-6-nitro-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0489 |
| Compound Name: | 3-(3,5-dimethoxyphenyl)-6-nitro-2-{[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}quinazolin-4(3H)-one |
| Molecular Weight: | 503.52 |
| Molecular Formula: | C25 H25 N7 O5 |
| Smiles: | COc1cc(cc(c1)OC)N1C(CN2CCN(CC2)c2ncccn2)=Nc2ccc(cc2C1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6768 |
| logD: | 2.6768 |
| logSw: | -3.1501 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 98.69 |
| InChI Key: | RXXQMCHEGZPZRL-UHFFFAOYSA-N |