5-amino-N-(3-chloro-4-fluorophenyl)-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(3-chloro-4-fluorophenyl)-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(3-chloro-4-fluorophenyl)-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L937-0226 |
| Compound Name: | 5-amino-N-(3-chloro-4-fluorophenyl)-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 461.28 |
| Molecular Formula: | C20 H15 Cl2 F N6 O2 |
| Smiles: | Cc1c(Cn2c(c(C(Nc3ccc(c(c3)[Cl])F)=O)nn2)N)nc(c2cccc(c2)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9585 |
| logD: | 3.9383 |
| logSw: | -4.3325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.41 |
| InChI Key: | NPEJFJNXHDGBBJ-UHFFFAOYSA-N |