N-[(4-ethoxy-3-methoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxy-3-methoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[(4-ethoxy-3-methoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
Compound ID: | G541-1552 |
Compound Name: | N-[(4-ethoxy-3-methoxyphenyl)methyl]-8-fluoro-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
Molecular Weight: | 427.5 |
Molecular Formula: | C22 H22 F N3 O3 S |
Smiles: | CCOc1ccc(CNC(c2c3CSc4ccc(cc4c3n(C)n2)F)=O)cc1OC |
Stereo: | ACHIRAL |
logP: | 3.3248 |
logD: | 3.3248 |
logSw: | -3.7231 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.815 |
InChI Key: | CBLIGEHMYLPKQD-UHFFFAOYSA-N |