2-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4(3H)-one
2-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0164 |
| Compound Name: | 2-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-3-(2,4-dimethoxyphenyl)-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 535.99 |
| Molecular Formula: | C27 H26 Cl N5 O5 |
| Smiles: | COc1ccc(c(c1)OC)N1C(CN2CCN(CC2)c2cccc(c2)[Cl])=Nc2ccc(cc2C1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7816 |
| logD: | 3.7815 |
| logSw: | -4.2283 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.113 |
| InChI Key: | SMHXXFNJECKLJJ-UHFFFAOYSA-N |