5-amino-N-(4-bromophenyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(4-bromophenyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(4-bromophenyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0789 |
| Compound Name: | 5-amino-N-(4-bromophenyl)-1-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 443.3 |
| Molecular Formula: | C19 H19 Br N6 O2 |
| Smiles: | Cc1ccc(CNC(Cn2c(c(C(Nc3ccc(cc3)[Br])=O)nn2)N)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.5238 |
| logD: | 2.5235 |
| logSw: | -2.9126 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.759 |
| InChI Key: | XNBCEZOKHNXKDY-UHFFFAOYSA-N |