1-benzyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidin-4-amine
Chemical Structure Depiction of
1-benzyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidin-4-amine
1-benzyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidin-4-amine
Compound characteristics
| Compound ID: | C437-0121 |
| Compound Name: | 1-benzyl-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-yl]piperidin-4-amine |
| Molecular Weight: | 452.47 |
| Molecular Formula: | C22 H24 N6 O5 |
| Smiles: | C1CN(CCC1Nc1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0373 |
| logD: | 1.2646 |
| logSw: | -2.5263 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.494 |
| InChI Key: | CFIAQBPIOTUCGK-UHFFFAOYSA-N |