3-methyl-4-nitro-N-{[1,3,3-trimethyl-5-(3-methyl-4-nitrobenzamido)cyclohexyl]methyl}benzamide
Chemical Structure Depiction of
3-methyl-4-nitro-N-{[1,3,3-trimethyl-5-(3-methyl-4-nitrobenzamido)cyclohexyl]methyl}benzamide
3-methyl-4-nitro-N-{[1,3,3-trimethyl-5-(3-methyl-4-nitrobenzamido)cyclohexyl]methyl}benzamide
Compound characteristics
| Compound ID: | Y503-0996 |
| Compound Name: | 3-methyl-4-nitro-N-{[1,3,3-trimethyl-5-(3-methyl-4-nitrobenzamido)cyclohexyl]methyl}benzamide |
| Molecular Weight: | 496.56 |
| Molecular Formula: | C26 H32 N4 O6 |
| Smiles: | Cc1cc(ccc1[N+]([O-])=O)C(NCC1(C)CC(CC(C)(C)C1)NC(c1ccc(c(C)c1)[N+]([O-])=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1364 |
| logD: | 5.1363 |
| logSw: | -5.1061 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.952 |
| InChI Key: | NQBMQEALBCMZJN-UHFFFAOYSA-N |