2-(3-chlorophenyl)-N-cyclopentyl-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(3-chlorophenyl)-N-cyclopentyl-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(3-chlorophenyl)-N-cyclopentyl-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1139 |
| Compound Name: | 2-(3-chlorophenyl)-N-cyclopentyl-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 323.74 |
| Molecular Formula: | C13 H14 Cl N5 O3 |
| Smiles: | C1CCC(C1)Nc1c(nn(c2cccc(c2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2223 |
| logD: | 3.2223 |
| logSw: | -3.7046 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.497 |
| InChI Key: | PDVXUXYHIZYDMW-UHFFFAOYSA-N |