N-[(5-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[(5-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
N-[(5-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C328-0049 |
| Compound Name: | N-[(5-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-1,3,4-oxadiazol-2-yl)methyl]-4-methoxybenzamide |
| Molecular Weight: | 446.91 |
| Molecular Formula: | C20 H19 Cl N4 O4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSc1nnc(CNC(c2ccc(cc2)OC)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.518 |
| logD: | 3.5178 |
| logSw: | -3.9404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.108 |
| InChI Key: | TWMHPTHQODVDEJ-UHFFFAOYSA-N |