5-[(2-{[(2,5-dimethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[(2,5-dimethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[(2,5-dimethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F736-0768 |
| Compound Name: | 5-[(2-{[(2,5-dimethoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 462.52 |
| Molecular Formula: | C20 H19 F N4 O4 S2 |
| Smiles: | COc1ccc(c(CNC(CSc2nnc(C(Nc3ccc(cc3)F)=O)s2)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3836 |
| logD: | 3.3828 |
| logSw: | -3.7847 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.569 |
| InChI Key: | KBNWVQDOUSGURZ-UHFFFAOYSA-N |