2-{[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl}-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl}-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
2-{[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl}-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | C284-0169 |
| Compound Name: | 2-{[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl}-3-(3-methoxyphenyl)-6-nitroquinazolin-4(3H)-one |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C28 H29 N5 O4 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)CC1=Nc2ccc(cc2C(N1c1cccc(c1)OC)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4004 |
| logD: | 4.4003 |
| logSw: | -4.344 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.483 |
| InChI Key: | RGITVWFHURETLN-UHFFFAOYSA-N |