(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(4-ethylphenyl)methanone
Chemical Structure Depiction of
(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(4-ethylphenyl)methanone
(4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(4-ethylphenyl)methanone
Compound characteristics
| Compound ID: | V009-4588 |
| Compound Name: | (4-{2,6-dimethyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl}piperazin-1-yl)(4-ethylphenyl)methanone |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C26 H29 N5 O3 |
| Smiles: | CCc1ccc(cc1)C(N1CCN(CC1)c1c(Cc2ccc(cc2)[N+]([O-])=O)c(C)nc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.95 |
| logD: | 4.8611 |
| logSw: | -4.6755 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.951 |
| InChI Key: | NXJCUGMWKKJZBY-UHFFFAOYSA-N |