5-[(2-{[(4-butoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[(4-butoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[(4-butoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0782 |
| Compound Name: | 5-[(2-{[(4-butoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C22 H23 F N4 O3 S2 |
| Smiles: | CCCCOc1ccc(CNC(CSc2nnc(C(Nc3ccc(cc3)F)=O)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6158 |
| logD: | 4.615 |
| logSw: | -4.2205 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.812 |
| InChI Key: | WJSQVTLSXFTTHC-UHFFFAOYSA-N |