5-amino-N-[(4-fluorophenyl)methyl]-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[(4-fluorophenyl)methyl]-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[(4-fluorophenyl)methyl]-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | C368-0746 |
| Compound Name: | 5-amino-N-[(4-fluorophenyl)methyl]-1-[2-(4-methylanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 382.4 |
| Molecular Formula: | C19 H19 F N6 O2 |
| Smiles: | Cc1ccc(cc1)NC(Cn1c(c(C(NCc2ccc(cc2)F)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7325 |
| logD: | 1.7325 |
| logSw: | -2.3244 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.759 |
| InChI Key: | XBJQBLDWTPZHPJ-UHFFFAOYSA-N |