3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-chloro-2-methylphenyl)propanamide
Chemical Structure Depiction of
3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-chloro-2-methylphenyl)propanamide
3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-chloro-2-methylphenyl)propanamide
Compound characteristics
| Compound ID: | J021-0031 |
| Compound Name: | 3-(3-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-chloro-2-methylphenyl)propanamide |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C20 H17 Cl N4 O2 S2 |
| Smiles: | Cc1ccc(cc1NC(CCc1nc(CSc2nc3ccccc3s2)no1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.8881 |
| logD: | 4.8877 |
| logSw: | -4.7536 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.833 |
| InChI Key: | USDODVZRZZHDKR-UHFFFAOYSA-N |