methyl 4-{[4-(4-methyl-3-{[(pyridin-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(4-methyl-3-{[(pyridin-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate
methyl 4-{[4-(4-methyl-3-{[(pyridin-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | 8012-5469 |
| Compound Name: | methyl 4-{[4-(4-methyl-3-{[(pyridin-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate |
| Molecular Weight: | 539.61 |
| Molecular Formula: | C29 H25 N5 O4 S |
| Smiles: | Cc1ccc(cc1S(NCc1ccccn1)(=O)=O)c1c2ccccc2c(Nc2ccc(cc2)C(=O)OC)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.0862 |
| logD: | 5.0728 |
| logSw: | -5.0547 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.236 |
| InChI Key: | BYBBEKWZUIYLRV-UHFFFAOYSA-N |