5-[(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0974 |
| Compound Name: | 5-[(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C21 H22 N4 O4 S2 |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(SCC(NCc2cccc(c2OC)OC)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7188 |
| logD: | 3.7187 |
| logSw: | -3.9746 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.742 |
| InChI Key: | GPRADSDHRKPLPS-UHFFFAOYSA-N |