1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V005-4418 |
| Compound Name: | 1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Salt: | not_available |
| Smiles: | CC(C)c1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8798 |
| logD: | 3.7452 |
| logSw: | -4.0774 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.077 |
| InChI Key: | BRPAYQZVJHAJCT-UHFFFAOYSA-N |