3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-methoxyphenyl)propanamide
Chemical Structure Depiction of
3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-methoxyphenyl)propanamide
3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-methoxyphenyl)propanamide
Compound characteristics
| Compound ID: | J021-0257 |
| Compound Name: | 3-(3-{[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)-N-(4-methoxyphenyl)propanamide |
| Molecular Weight: | 444.89 |
| Molecular Formula: | C20 H17 Cl N4 O4 S |
| Smiles: | COc1ccc(cc1)NC(CCc1nc(CSc2nc3cc(ccc3o2)[Cl])no1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3147 |
| logD: | 4.3147 |
| logSw: | -4.5276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.657 |
| InChI Key: | DUPNNXSQKRASMR-UHFFFAOYSA-N |