3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide
Chemical Structure Depiction of
3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide
3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-0180 |
| Compound Name: | 3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)propanamide |
| Molecular Weight: | 477.5 |
| Molecular Formula: | C23 H19 N5 O5 S |
| Smiles: | Cc1ccc2c(c1)nc(o2)SCc1nc(CCC(Nc2ccc3C(N(C)C(c3c2)=O)=O)=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 3.6346 |
| logD: | 3.6329 |
| logSw: | -3.8587 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.403 |
| InChI Key: | DRONULLCYDJBIB-UHFFFAOYSA-N |