3-(3-{[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
Chemical Structure Depiction of
3-(3-{[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
3-(3-{[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
Compound characteristics
| Compound ID: | J021-3428 |
| Compound Name: | 3-(3-{[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]propanamide |
| Molecular Weight: | 475.49 |
| Molecular Formula: | C22 H20 F3 N5 O2 S |
| Smiles: | Cc1cc2c(cc1C)[nH]c(n2)SCc1nc(CCC(Nc2ccc(cc2)C(F)(F)F)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.1575 |
| logD: | 5.0037 |
| logSw: | -4.998 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.463 |
| InChI Key: | BJPACKDQUYJAQG-UHFFFAOYSA-N |