5-amino-1-[(3-bromophenyl)methyl]-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[(3-bromophenyl)methyl]-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[(3-bromophenyl)methyl]-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C549-0817 |
| Compound Name: | 5-amino-1-[(3-bromophenyl)methyl]-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 400.28 |
| Molecular Formula: | C18 H18 Br N5 O |
| Smiles: | C(CNC(c1c(N)n(Cc2cccc(c2)[Br])nn1)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3027 |
| logD: | 2.3027 |
| logSw: | -2.9971 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 70.451 |
| InChI Key: | DCLCXNPXZSSDTF-UHFFFAOYSA-N |