5-amino-1-[(3-bromophenyl)methyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(3-bromophenyl)methyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(3-bromophenyl)methyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0810 |
| Compound Name: | 5-amino-1-[(3-bromophenyl)methyl]-N-(3,5-dimethylphenyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 400.28 |
| Molecular Formula: | C18 H18 Br N5 O |
| Smiles: | Cc1cc(C)cc(c1)NC(c1c(N)n(Cc2cccc(c2)[Br])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4709 |
| logD: | 3.4708 |
| logSw: | -3.7 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.287 |
| InChI Key: | NMWUUOCTDIBLMS-UHFFFAOYSA-N |