N-(2H-1,3-benzodioxol-5-yl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(2H-1,3-benzodioxol-5-yl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-2281 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | Cc1ccc2c(c1)nc(o2)SCc1nc(CCC(Nc2ccc3c(c2)OCO3)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.9455 |
| logD: | 3.9454 |
| logSw: | -3.9285 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.229 |
| InChI Key: | PUGUEFDUAXBZNH-UHFFFAOYSA-N |