2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(4-methylphenyl)methyl]acetamide
2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F071-0547 |
| Compound Name: | 2-{5-amino-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | Cc1ccc(CNC(Cn2c(c(c(n2)SC)c2nc(c3ccc(cc3)[Cl])no2)N)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3805 |
| logD: | 4.3805 |
| logSw: | -4.9023 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.203 |
| InChI Key: | FLHKJZSACWNPIR-UHFFFAOYSA-N |