5-(4-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-(4-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide
5-(4-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | F414-1114 |
| Compound Name: | 5-(4-chloroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 371.78 |
| Molecular Formula: | C17 H14 Cl N5 O3 |
| Smiles: | C1COc2cc(ccc2O1)NC(c1c(Nc2ccc(cc2)[Cl])[nH]nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2709 |
| logD: | 2.205 |
| logSw: | -3.3483 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.378 |
| InChI Key: | ABNUWQDMCURXKV-UHFFFAOYSA-N |