N-(5-chloro-2,4-dimethoxyphenyl)-N,1-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-N,1-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-(5-chloro-2,4-dimethoxyphenyl)-N,1-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
Compound ID: | E146-1541 |
Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-N,1-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
Molecular Weight: | 429.92 |
Molecular Formula: | C21 H20 Cl N3 O3 S |
Smiles: | CN(C(c1c2CSc3ccccc3c2n(C)n1)=O)c1cc(c(cc1OC)OC)[Cl] |
Stereo: | ACHIRAL |
logP: | 3.8298 |
logD: | 3.8298 |
logSw: | -4.2421 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 44.89 |
InChI Key: | PACKSNCSJAWSGT-UHFFFAOYSA-N |