5-amino-N-(2-bromophenyl)-1-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(2-bromophenyl)-1-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(2-bromophenyl)-1-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-0219 |
| Compound Name: | 5-amino-N-(2-bromophenyl)-1-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.3 |
| Molecular Formula: | C19 H19 Br N6 O2 |
| Smiles: | Cc1cccc(C)c1NC(Cn1c(c(C(Nc2ccccc2[Br])=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3344 |
| logD: | 2.3344 |
| logSw: | -2.6135 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 90.343 |
| InChI Key: | VBQCQVOXVUFWEO-UHFFFAOYSA-N |