5-amino-N-[(4-fluorophenyl)methyl]-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[(4-fluorophenyl)methyl]-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[(4-fluorophenyl)methyl]-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1648 |
| Compound Name: | 5-amino-N-[(4-fluorophenyl)methyl]-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H23 F N6 O2 |
| Smiles: | CC(C)c1ccc(cc1)NC(Cn1c(c(C(NCc2ccc(cc2)F)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6473 |
| logD: | 2.6473 |
| logSw: | -3.1575 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.759 |
| InChI Key: | UMQSRRSNWGLCBO-UHFFFAOYSA-N |