N-(2-methylphenyl)-5-[4-oxo-4-(propylamino)butyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-[4-oxo-4-(propylamino)butyl]-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-[4-oxo-4-(propylamino)butyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0850 |
| Compound Name: | N-(2-methylphenyl)-5-[4-oxo-4-(propylamino)butyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | CCCNC(CCCc1nnc(C(Nc2ccccc2C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8898 |
| logD: | 1.8897 |
| logSw: | -2.4344 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.944 |
| InChI Key: | TVMUCXACIMPFAS-UHFFFAOYSA-N |