1-[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]azepane
Chemical Structure Depiction of
1-[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]azepane
1-[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]azepane
Compound characteristics
| Compound ID: | C301-0859 |
| Compound Name: | 1-[2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]azepane |
| Molecular Weight: | 337.76 |
| Molecular Formula: | C14 H16 Cl N5 O3 |
| Smiles: | C1CCCN(CC1)c1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7913 |
| logD: | 3.7913 |
| logSw: | -4.3212 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.088 |
| InChI Key: | AYXIGZGMSKZIKY-UHFFFAOYSA-N |