N-(2-methylphenyl)-5-{4-oxo-4-[(propan-2-yl)amino]butyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-methylphenyl)-5-{4-oxo-4-[(propan-2-yl)amino]butyl}-1,3,4-thiadiazole-2-carboxamide
N-(2-methylphenyl)-5-{4-oxo-4-[(propan-2-yl)amino]butyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0849 |
| Compound Name: | N-(2-methylphenyl)-5-{4-oxo-4-[(propan-2-yl)amino]butyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 346.45 |
| Molecular Formula: | C17 H22 N4 O2 S |
| Smiles: | CC(C)NC(CCCc1nnc(C(Nc2ccccc2C)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0308 |
| logD: | 2.0307 |
| logSw: | -2.4943 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.077 |
| InChI Key: | NWGDWEQIKVZRRG-UHFFFAOYSA-N |