methyl 4-[(4-{3-[(2-hydroxyethyl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(4-{3-[(2-hydroxyethyl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate
methyl 4-[(4-{3-[(2-hydroxyethyl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate
Compound characteristics
| Compound ID: | 4109-1934 |
| Compound Name: | methyl 4-[(4-{3-[(2-hydroxyethyl)sulfamoyl]-4-methylphenyl}phthalazin-1-yl)amino]benzoate |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C25 H24 N4 O5 S |
| Smiles: | Cc1ccc(cc1S(NCCO)(=O)=O)c1c2ccccc2c(Nc2ccc(cc2)C(=O)OC)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.9563 |
| logD: | 3.9555 |
| logSw: | -4.1646 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 111.462 |
| InChI Key: | DMRHNHBMGHIHRA-UHFFFAOYSA-N |