N-(3-fluorophenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-fluorophenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-1116 |
| Compound Name: | N-(3-fluorophenyl)-5-(4-{[(3-methyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C18 H19 F N6 O2 S |
| Smiles: | Cc1c(CNC(CCCc2nnc(C(Nc3cccc(c3)F)=O)s2)=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 1.8201 |
| logD: | 1.8168 |
| logSw: | -2.545 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.797 |
| InChI Key: | ZRVFQOOCKHDAFE-UHFFFAOYSA-N |