5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-0725 |
| Compound Name: | 5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-N-phenyl-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C18 H20 N6 O2 S |
| Smiles: | Cc1c(CNC(CCCc2nnc(C(Nc3ccccc3)=O)s2)=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.475 |
| logD: | 1.4749 |
| logSw: | -2.2936 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.797 |
| InChI Key: | ABMLLKVUFIBMME-UHFFFAOYSA-N |