methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate
methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate
Compound characteristics
| Compound ID: | 5233-2346 |
| Compound Name: | methyl 4-[(4-{3-[(1-hydroxy-2-methylpropan-2-yl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate |
| Molecular Weight: | 520.61 |
| Molecular Formula: | C27 H28 N4 O5 S |
| Smiles: | Cc1ccc(cc1S(NC(C)(C)CO)(=O)=O)c1c2ccccc2c(Nc2ccc(cc2)C(=O)OC)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.3965 |
| logD: | 4.3954 |
| logSw: | -4.271 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.584 |
| InChI Key: | NUBGYODZQGZDFT-UHFFFAOYSA-N |