5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0716 |
| Compound Name: | 5-[(2-{[3-(azepan-1-yl)propyl]amino}-2-oxoethoxy)methyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C21 H28 F N5 O3 S |
| Smiles: | C1CCCN(CC1)CCCNC(COCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.876 |
| logD: | -0.7526 |
| logSw: | -2.5802 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.118 |
| InChI Key: | LPCKGJRUTDLEKW-UHFFFAOYSA-N |