1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)pentan-2-ol
Chemical Structure Depiction of
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)pentan-2-ol
1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)pentan-2-ol
Compound characteristics
| Compound ID: | V019-2631 |
| Compound Name: | 1-(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)pentan-2-ol |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C22 H31 N5 O3 |
| Salt: | not_available |
| Smiles: | CCCC(CN1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C)n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7014 |
| logD: | 3.4367 |
| logSw: | -4.0118 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.926 |
| InChI Key: | SERPOPDKEJRNJA-FQEVSTJZSA-N |