5-amino-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | E919-2253 |
| Compound Name: | 5-amino-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-N-(2-phenylethyl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C20 H21 F N6 O2 |
| Smiles: | Cc1ccc(cc1F)NC(Cn1c(c(C(NCCc2ccccc2)=O)nn1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8633 |
| logD: | 1.8632 |
| logSw: | -2.5124 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.601 |
| InChI Key: | XZGTYWAYGYWLNU-UHFFFAOYSA-N |