1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)hex-5-en-2-ol
Chemical Structure Depiction of
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)hex-5-en-2-ol
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)hex-5-en-2-ol
Compound characteristics
| Compound ID: | V005-4619 |
| Compound Name: | 1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)hex-5-en-2-ol |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | Cc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(C)n1)N1CCN(CC1)CC(CCC=C)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8862 |
| logD: | 3.3536 |
| logSw: | -4.0306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.926 |
| InChI Key: | HXDLUJIHPJYFNA-NRFANRHFSA-N |