5-[4-(azepan-1-yl)-4-oxobutyl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[4-(azepan-1-yl)-4-oxobutyl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[4-(azepan-1-yl)-4-oxobutyl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-1012 |
| Compound Name: | 5-[4-(azepan-1-yl)-4-oxobutyl]-N-(3-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C19 H23 F N4 O2 S |
| Smiles: | C1CCCN(CC1)C(CCCc1nnc(C(Nc2cccc(c2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1845 |
| logD: | 3.1812 |
| logSw: | -3.4516 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.781 |
| InChI Key: | AUPYMVZGZQTTGT-UHFFFAOYSA-N |