N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-1128 |
| Compound Name: | N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 493.63 |
| Molecular Formula: | C26 H31 N5 O3 S |
| Smiles: | Cc1ccc(cc1)OCc1nnc(C(Nc2cccc(c2)C(NCCN2CCCCCC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1759 |
| logD: | 3.1991 |
| logSw: | -4.0403 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.125 |
| InChI Key: | WUCCJHYPCNBMIH-UHFFFAOYSA-N |