N-[(2-ethoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(2-ethoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[(2-ethoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1546 |
| Compound Name: | N-[(2-ethoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 397.47 |
| Molecular Formula: | C21 H20 F N3 O2 S |
| Smiles: | CCOc1ccccc1CNC(c1c2CSc3ccc(cc3c2n(C)n1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9737 |
| logD: | 3.9737 |
| logSw: | -4.1326 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.185 |
| InChI Key: | YAEJXCONBZNGIA-UHFFFAOYSA-N |