(2-chlorophenyl)(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
(2-chlorophenyl)(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
(2-chlorophenyl)(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-7745 |
| Compound Name: | (2-chlorophenyl)(4-{6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 522.05 |
| Molecular Formula: | C28 H32 Cl N5 O3 |
| Salt: | not_available |
| Smiles: | CCc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(CC(C)C)n1)N1CCN(CC1)C(c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4262 |
| logD: | 6.2197 |
| logSw: | -6.0816 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.018 |
| InChI Key: | WAUQVDPSLMRSDN-UHFFFAOYSA-N |