methyl 4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate
methyl 4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | 4903-2161 |
| Compound Name: | methyl 4-{[4-(4-methyl-3-{[(oxolan-2-yl)methyl]sulfamoyl}phenyl)phthalazin-1-yl]amino}benzoate |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C28 H28 N4 O5 S |
| Smiles: | Cc1ccc(cc1S(NCC1CCCO1)(=O)=O)c1c2ccccc2c(Nc2ccc(cc2)C(=O)OC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7683 |
| logD: | 4.7677 |
| logSw: | -4.769 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.347 |
| InChI Key: | AONUALDDNMMYDE-JOCHJYFZSA-N |