5-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0494 |
| Compound Name: | 5-[3-oxo-3-(3,4,5-trimethoxyanilino)propyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCc1nnc(C(Nc2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.106 |
| logD: | 2.1053 |
| logSw: | -3.143 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.185 |
| InChI Key: | LHBCKQOFSOYSMG-UHFFFAOYSA-N |