5-(4-{[(3-fluorophenyl)methyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[(3-fluorophenyl)methyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[(3-fluorophenyl)methyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0958 |
| Compound Name: | 5-(4-{[(3-fluorophenyl)methyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 412.48 |
| Molecular Formula: | C21 H21 F N4 O2 S |
| Smiles: | Cc1ccccc1NC(c1nnc(CCCC(NCc2cccc(c2)F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9869 |
| logD: | 2.9868 |
| logSw: | -3.3311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.831 |
| InChI Key: | PLLAEIFVHKYJGU-UHFFFAOYSA-N |