1-(4-{6-ethyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
Chemical Structure Depiction of
1-(4-{6-ethyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
1-(4-{6-ethyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | V027-7768 |
| Compound Name: | 1-(4-{6-ethyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)-2-methoxyethan-1-one |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C23 H31 N5 O4 |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(C(C)C)n1)N1CCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7285 |
| logD: | 3.5644 |
| logSw: | -4.0657 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 81.195 |
| InChI Key: | HVWJJOALJMUHGK-UHFFFAOYSA-N |