3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-chloro-2-fluorophenyl)propanamide
Chemical Structure Depiction of
3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-chloro-2-fluorophenyl)propanamide
3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-chloro-2-fluorophenyl)propanamide
Compound characteristics
| Compound ID: | J021-0162 |
| Compound Name: | 3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-chloro-2-fluorophenyl)propanamide |
| Molecular Weight: | 432.86 |
| Molecular Formula: | C19 H14 Cl F N4 O3 S |
| Smiles: | C(Cc1nc(CSc2nc3ccccc3o2)no1)C(Nc1ccc(cc1F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5188 |
| logD: | 4.5031 |
| logSw: | -4.646 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.415 |
| InChI Key: | COIFXBZSRVMUFA-UHFFFAOYSA-N |