butyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate
butyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | G410-0044 |
| Compound Name: | butyl 4-{[4-(3,5-dimethyl-1H-pyrazol-1-yl)phthalazin-1-yl]amino}benzoate |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C24 H25 N5 O2 |
| Smiles: | CCCCOC(c1ccc(cc1)Nc1c2ccccc2c(nn1)n1c(C)cc(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1991 |
| logD: | 5.1933 |
| logSw: | -5.2357 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.114 |
| InChI Key: | GBMPPWUWLNAWOS-UHFFFAOYSA-N |