5-[(4-fluorophenoxy)methyl]-N-(3-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(4-fluorophenoxy)methyl]-N-(3-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(4-fluorophenoxy)methyl]-N-(3-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-1015 |
| Compound Name: | 5-[(4-fluorophenoxy)methyl]-N-(3-{[(3-methyl-1H-pyrazol-4-yl)methyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C22 H19 F N6 O3 S |
| Smiles: | Cc1c(CNC(c2cccc(c2)NC(c2nnc(COc3ccc(cc3)F)s2)=O)=O)c[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9433 |
| logD: | 2.9432 |
| logSw: | -3.4838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.238 |
| InChI Key: | AYXIEWZRUVWTOL-UHFFFAOYSA-N |