3-(3-{[(1,3-benzothiazol-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-{[(1,3-benzothiazol-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-{[(1,3-benzothiazol-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: | J021-0016 |
| Compound Name: | 3-(3-{[(1,3-benzothiazol-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: | 479.53 |
| Molecular Formula: | C22 H17 N5 O4 S2 |
| Smiles: | CN1C(c2ccc(cc2C1=O)NC(CCc1nc(CSc2nc3ccccc3s2)no1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9532 |
| logD: | 3.9516 |
| logSw: | -4.0268 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.821 |
| InChI Key: | BLLSDPKMSJXPHN-UHFFFAOYSA-N |