N-(4-chlorophenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(4-chlorophenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(4-chlorophenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-0170 |
| Compound Name: | N-(4-chlorophenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 428.9 |
| Molecular Formula: | C20 H17 Cl N4 O3 S |
| Smiles: | Cc1ccc2c(c1)nc(o2)SCc1nc(CCC(Nc2ccc(cc2)[Cl])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.7071 |
| logD: | 4.7069 |
| logSw: | -4.7509 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.113 |
| InChI Key: | XEWDDTVCDIVKDK-UHFFFAOYSA-N |