5-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | G713-0288 |
Compound Name: | 5-[3-(3,4-dimethylanilino)-3-oxopropyl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 398.46 |
Molecular Formula: | C20 H19 F N4 O2 S |
Smiles: | Cc1ccc(cc1C)NC(CCc1nnc(C(Nc2ccc(cc2)F)=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 3.9336 |
logD: | 3.9309 |
logSw: | -3.9581 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.207 |
InChI Key: | DCRGOVKZEWUPQD-UHFFFAOYSA-N |