8-fluoro-1-methyl-N-[(3,4,5-triethoxyphenyl)methyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
8-fluoro-1-methyl-N-[(3,4,5-triethoxyphenyl)methyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
8-fluoro-1-methyl-N-[(3,4,5-triethoxyphenyl)methyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1415 |
| Compound Name: | 8-fluoro-1-methyl-N-[(3,4,5-triethoxyphenyl)methyl]-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C25 H28 F N3 O4 S |
| Smiles: | CCOc1cc(CNC(c2c3CSc4ccc(cc4c3n(C)n2)F)=O)cc(c1OCC)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.1047 |
| logD: | 4.1047 |
| logSw: | -4.2402 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.692 |
| InChI Key: | KWMISBPKLVOPPT-UHFFFAOYSA-N |