1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methylpropan-2-ol
Chemical Structure Depiction of
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methylpropan-2-ol
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methylpropan-2-ol
Compound characteristics
| Compound ID: | V019-3340 |
| Compound Name: | 1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)-2-methylpropan-2-ol |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H29 N5 O3 |
| Smiles: | Cc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(C)n1)N1CCN(CC1)CC(C)(C)O |
| Stereo: | ACHIRAL |
| logP: | 3.1336 |
| logD: | 2.5821 |
| logSw: | -3.1117 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.494 |
| InChI Key: | FLMSXFVDKCJEOJ-UHFFFAOYSA-N |