N-(4-methylphenyl)-5-(4-oxo-4-{[(pyridin-3-yl)methyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(4-methylphenyl)-5-(4-oxo-4-{[(pyridin-3-yl)methyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
N-(4-methylphenyl)-5-(4-oxo-4-{[(pyridin-3-yl)methyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0198 |
| Compound Name: | N-(4-methylphenyl)-5-(4-oxo-4-{[(pyridin-3-yl)methyl]amino}butyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C20 H21 N5 O2 S |
| Smiles: | Cc1ccc(cc1)NC(c1nnc(CCCC(NCc2cccnc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0254 |
| logD: | 2.0229 |
| logSw: | -2.0575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.047 |
| InChI Key: | BWWADNGQLMEVSY-UHFFFAOYSA-N |