3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2H-1,3-benzodioxol-5-yl)propanamide
Chemical Structure Depiction of
3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2H-1,3-benzodioxol-5-yl)propanamide
3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2H-1,3-benzodioxol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-2301 |
| Compound Name: | 3-(3-{[(1H-benzimidazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2H-1,3-benzodioxol-5-yl)propanamide |
| Molecular Weight: | 423.45 |
| Molecular Formula: | C20 H17 N5 O4 S |
| Smiles: | C(Cc1nc(CSc2nc3ccccc3[nH]2)no1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9184 |
| logD: | 2.8218 |
| logSw: | -3.3427 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.578 |
| InChI Key: | WHHGJYWGNFOKHT-UHFFFAOYSA-N |