5-[(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenoxy)methyl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenoxy)methyl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenoxy)methyl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L083-1161 |
| Compound Name: | 5-[(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenoxy)methyl]-N-(2-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C25 H28 F N5 O3 S |
| Smiles: | C1CCCN(CC1)CCNC(c1ccc(cc1)OCc1nnc(C(Nc2ccccc2F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.43 |
| logD: | 2.4533 |
| logSw: | -3.6822 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.427 |
| InChI Key: | JLOFVTDQHXJEHD-UHFFFAOYSA-N |