5-(3-oxo-3-{[(3,4,5-trimethoxyphenyl)methyl]amino}propyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(3-oxo-3-{[(3,4,5-trimethoxyphenyl)methyl]amino}propyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(3-oxo-3-{[(3,4,5-trimethoxyphenyl)methyl]amino}propyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | G713-0613 |
| Compound Name: | 5-(3-oxo-3-{[(3,4,5-trimethoxyphenyl)methyl]amino}propyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | COc1cc(CNC(CCc2nnc(C(Nc3ccccc3)=O)s2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2072 |
| logD: | 2.2072 |
| logSw: | -3.0986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.507 |
| InChI Key: | YPSAKCRLTBLHFW-UHFFFAOYSA-N |