N-(2-fluorophenyl)-5-{[4-(4-methylpiperazine-1-carbonyl)phenoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2-fluorophenyl)-5-{[4-(4-methylpiperazine-1-carbonyl)phenoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(2-fluorophenyl)-5-{[4-(4-methylpiperazine-1-carbonyl)phenoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | L083-1104 |
| Compound Name: | N-(2-fluorophenyl)-5-{[4-(4-methylpiperazine-1-carbonyl)phenoxy]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 455.51 |
| Molecular Formula: | C22 H22 F N5 O3 S |
| Smiles: | CN1CCN(CC1)C(c1ccc(cc1)OCc1nnc(C(Nc2ccccc2F)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.988 |
| logD: | 1.854 |
| logSw: | -2.5471 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.984 |
| InChI Key: | HOTWYGZYJFIIRX-UHFFFAOYSA-N |