5-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0444 |
| Compound Name: | 5-[3-(3,4-dimethoxyanilino)-3-oxopropyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | COc1ccc(cc1OC)NC(CCc1nnc(C(Nc2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2603 |
| logD: | 2.2602 |
| logSw: | -3.0447 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.468 |
| InChI Key: | LYBPGAMRVRIZSY-UHFFFAOYSA-N |