ethyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate
ethyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate
Compound characteristics
Compound ID: | C301-6636 |
Compound Name: | ethyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate |
Molecular Weight: | 387.44 |
Molecular Formula: | C22 H21 N5 O2 |
Smiles: | CCOC(c1ccc(cc1)Nc1c2ccccc2c(nn1)n1c(C)cc(C)n1)=O |
Stereo: | ACHIRAL |
logP: | 4.2144 |
logD: | 4.2086 |
logSw: | -4.169 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 65.82 |
InChI Key: | CSMKXYKIJKGEMG-UHFFFAOYSA-N |