5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0838 |
| Compound Name: | 5-amino-1-[(3-bromo-4-methoxyphenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 460.29 |
| Molecular Formula: | C19 H18 Br N5 O4 |
| Smiles: | COc1ccc(Cn2c(c(C(Nc3ccc4c(c3)OCCO4)=O)nn2)N)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.5254 |
| logD: | 1.5253 |
| logSw: | -2.3417 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.741 |
| InChI Key: | IIAHCMOKTUAHPB-UHFFFAOYSA-N |