N-[(2,4-dimethoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(2,4-dimethoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[(2,4-dimethoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | G541-1554 |
| Compound Name: | N-[(2,4-dimethoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C21 H20 F N3 O3 S |
| Smiles: | Cn1c2c3cc(ccc3SCc2c(C(NCc2ccc(cc2OC)OC)=O)n1)F |
| Stereo: | ACHIRAL |
| logP: | 3.5839 |
| logD: | 3.5839 |
| logSw: | -3.9713 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.149 |
| InChI Key: | ZSNODQJNRGPNDU-UHFFFAOYSA-N |