5-amino-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
5-amino-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-1641 |
| Compound Name: | 5-amino-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyanilino)-2-oxoethyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 398.4 |
| Molecular Formula: | C19 H19 F N6 O3 |
| Smiles: | COc1cccc(c1)NC(Cn1c(c(C(NCc2ccc(cc2)F)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3755 |
| logD: | 1.3755 |
| logSw: | -2.2575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 101.303 |
| InChI Key: | PVBROJIAIJDVDG-UHFFFAOYSA-N |