cyclobutyl(4-{2-cyclopropyl-6-ethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
Chemical Structure Depiction of
cyclobutyl(4-{2-cyclopropyl-6-ethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
cyclobutyl(4-{2-cyclopropyl-6-ethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V027-3620 |
| Compound Name: | cyclobutyl(4-{2-cyclopropyl-6-ethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)methanone |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Smiles: | CCc1c(Cc2ccc(cc2)[N+]([O-])=O)c(nc(C2CC2)n1)N1CCN(CC1)C(C1CCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7802 |
| logD: | 3.694 |
| logSw: | -4.5359 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.802 |
| InChI Key: | NQAUZLZKJXDSCJ-UHFFFAOYSA-N |