N-(5-chloro-2-methylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
N-(5-chloro-2-methylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide
Compound characteristics
| Compound ID: | J021-0195 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-3-(3-{[(5-methyl-1,3-benzoxazol-2-yl)sulfanyl]methyl}-1,2,4-oxadiazol-5-yl)propanamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | Cc1ccc2c(c1)nc(o2)SCc1nc(CCC(Nc2cc(ccc2C)[Cl])=O)on1 |
| Stereo: | ACHIRAL |
| logP: | 4.5695 |
| logD: | 4.5691 |
| logSw: | -4.5988 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.415 |
| InChI Key: | HWXMNBDKUMRQBU-UHFFFAOYSA-N |