N-(3-fluorophenyl)-5-(4-{[(3-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-5-(4-{[(3-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-fluorophenyl)-5-(4-{[(3-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F501-1047 |
| Compound Name: | N-(3-fluorophenyl)-5-(4-{[(3-methylphenyl)methyl]amino}-4-oxobutyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 412.48 |
| Molecular Formula: | C21 H21 F N4 O2 S |
| Smiles: | Cc1cccc(CNC(CCCc2nnc(C(Nc3cccc(c3)F)=O)s2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.6716 |
| logD: | 3.6683 |
| logSw: | -3.9091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.529 |
| InChI Key: | QYYKOPVSVYLJTD-UHFFFAOYSA-N |