3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
Chemical Structure Depiction of
3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | J021-0100 |
| Compound Name: | 3-(3-{[(1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(5-chloro-2-methoxyphenyl)propanamide |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C20 H17 Cl N4 O4 S |
| Smiles: | COc1ccc(cc1NC(CCc1nc(CSc2nc3ccccc3o2)no1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1498 |
| logD: | 4.1428 |
| logSw: | -4.4826 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.046 |
| InChI Key: | GVVLZWOPHSNAPV-UHFFFAOYSA-N |