N-(4-bromo-2-methylphenyl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
N-(4-bromo-2-methylphenyl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide
Compound characteristics
Compound ID: | C762-0029 |
Compound Name: | N-(4-bromo-2-methylphenyl)-2-(8-methyl[1]benzopyrano[4,3-c]pyrazol-1(4H)-yl)acetamide |
Molecular Weight: | 412.28 |
Molecular Formula: | C20 H18 Br N3 O2 |
Smiles: | Cc1ccc2c(c1)c1c(CO2)cnn1CC(Nc1ccc(cc1C)[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.987 |
logD: | 3.9868 |
logSw: | -4.0318 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.358 |
InChI Key: | NIQYUSKIFHETKP-UHFFFAOYSA-N |