5-amino-N-(4-bromophenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(4-bromophenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(4-bromophenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0779 |
| Compound Name: | 5-amino-N-(4-bromophenyl)-1-[2-(3-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 429.27 |
| Molecular Formula: | C18 H17 Br N6 O2 |
| Smiles: | Cc1cccc(c1)NC(Cn1c(c(C(Nc2ccc(cc2)[Br])=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8826 |
| logD: | 2.8823 |
| logSw: | -3.1523 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 92.437 |
| InChI Key: | GKMOFLXLYLWKMG-UHFFFAOYSA-N |