1-[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]-3,5-dimethylpiperidine
Chemical Structure Depiction of
1-[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]-3,5-dimethylpiperidine
1-[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]-3,5-dimethylpiperidine
Compound characteristics
| Compound ID: | C301-0860 |
| Compound Name: | 1-[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]-3,5-dimethylpiperidine |
| Molecular Weight: | 351.79 |
| Molecular Formula: | C15 H18 Cl N5 O3 |
| Smiles: | CC1CC(C)CN(C1)c1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9532 |
| logD: | 3.9532 |
| logSw: | -4.2616 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.624 |
| InChI Key: | ATULDVMPMCBUKH-UHFFFAOYSA-N |