1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)butan-2-ol
Chemical Structure Depiction of
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)butan-2-ol
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)butan-2-ol
Compound characteristics
| Compound ID: | V005-4607 |
| Compound Name: | 1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)butan-2-ol |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C21 H29 N5 O3 |
| Smiles: | CCC(CN1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C)n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2242 |
| logD: | 2.7189 |
| logSw: | -3.2342 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.926 |
| InChI Key: | SJVCYXLACNCENI-IBGZPJMESA-N |