5-[(3,4-dimethoxyphenoxy)methyl]-N-(4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(3,4-dimethoxyphenoxy)methyl]-N-(4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(3,4-dimethoxyphenoxy)methyl]-N-(4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F913-0811 |
| Compound Name: | 5-[(3,4-dimethoxyphenoxy)methyl]-N-(4-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 511.6 |
| Molecular Formula: | C25 H29 N5 O5 S |
| Smiles: | COc1ccc(cc1OC)OCc1nnc(C(Nc2ccc(cc2)C(NCCN2CCCC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.029 |
| logD: | 0.6208 |
| logSw: | -2.8485 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.421 |
| InChI Key: | SGEZHEPRDLUNEP-UHFFFAOYSA-N |