methyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate
methyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | C301-6775 |
| Compound Name: | methyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate |
| Molecular Weight: | 373.41 |
| Molecular Formula: | C21 H19 N5 O2 |
| Smiles: | Cc1cc(C)n(c2c3ccccc3c(Nc3ccc(cc3)C(=O)OC)nn2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.7037 |
| logD: | 3.6979 |
| logSw: | -4.1405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.241 |
| InChI Key: | YGTSJCSAICFTHD-UHFFFAOYSA-N |