2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(4-bromophenyl)acetamide
Chemical Structure Depiction of
2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(4-bromophenyl)acetamide
2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | F071-0748 |
| Compound Name: | 2-{5-amino-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-(methylsulfanyl)-1H-pyrazol-1-yl}-N-(4-bromophenyl)acetamide |
| Molecular Weight: | 499.39 |
| Molecular Formula: | C21 H19 Br N6 O2 S |
| Smiles: | Cc1cccc(c1)c1nc(c2c(nn(CC(Nc3ccc(cc3)[Br])=O)c2N)SC)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.9878 |
| logD: | 4.9877 |
| logSw: | -4.8625 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.881 |
| InChI Key: | MWSKVTUEIQCQGD-UHFFFAOYSA-N |