2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Chemical Structure Depiction of
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine
Compound characteristics
| Compound ID: | C437-0204 |
| Compound Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl}-5-nitro-3-oxo-2H-1,2,3lambda~5~-triazol-4-amine |
| Molecular Weight: | 485.47 |
| Molecular Formula: | C22 H24 F N7 O5 |
| Smiles: | C(CN1CCN(CC1)c1ccccc1F)Nc1c(nn(c2ccc3c(c2)OCCO3)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.0349 |
| logD: | 1.925 |
| logSw: | -2.5312 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.012 |
| InChI Key: | LKENKODUBNWNQW-UHFFFAOYSA-N |