5-[(3,5-dimethylphenoxy)methyl]-N-(3-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(3,5-dimethylphenoxy)methyl]-N-(3-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(3,5-dimethylphenoxy)methyl]-N-(3-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0700 |
| Compound Name: | 5-[(3,5-dimethylphenoxy)methyl]-N-(3-{[2-(pyrrolidin-1-yl)ethyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C25 H29 N5 O3 S |
| Smiles: | Cc1cc(C)cc(c1)OCc1nnc(C(Nc2cccc(c2)C(NCCN2CCCC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7753 |
| logD: | 2.3671 |
| logSw: | -3.8608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.16 |
| InChI Key: | AUXBLRKLXFDXDI-UHFFFAOYSA-N |