N-(2H-1,3-benzodioxol-5-yl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(2H-1,3-benzodioxol-5-yl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-2391 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-(3-{[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C21 H18 N6 O4 S |
| Smiles: | C(Cc1nc(CSc2nnc(c3ccccc3)[nH]2)no1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8205 |
| logD: | 1.6198 |
| logSw: | -3.4611 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.072 |
| InChI Key: | PJWOEBQDGHRAJR-UHFFFAOYSA-N |