1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V027-7697 |
| Compound Name: | 1-(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(CC(C)C)n1)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8632 |
| logD: | 4.6567 |
| logSw: | -4.5867 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.757 |
| InChI Key: | TVDAYXVICDENQD-UHFFFAOYSA-N |