methyl 4-{[4-(3-{[(1H-benzimidazol-2-yl)methyl]sulfamoyl}-4-methylphenyl)phthalazin-1-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(3-{[(1H-benzimidazol-2-yl)methyl]sulfamoyl}-4-methylphenyl)phthalazin-1-yl]amino}benzoate
methyl 4-{[4-(3-{[(1H-benzimidazol-2-yl)methyl]sulfamoyl}-4-methylphenyl)phthalazin-1-yl]amino}benzoate
Compound characteristics
| Compound ID: | 4903-2137 |
| Compound Name: | methyl 4-{[4-(3-{[(1H-benzimidazol-2-yl)methyl]sulfamoyl}-4-methylphenyl)phthalazin-1-yl]amino}benzoate |
| Molecular Weight: | 578.65 |
| Molecular Formula: | C31 H26 N6 O4 S |
| Smiles: | Cc1ccc(cc1S(NCc1nc2ccccc2[nH]1)(=O)=O)c1c2ccccc2c(Nc2ccc(cc2)C(=O)OC)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.9608 |
| logD: | 5.846 |
| logSw: | -5.6949 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.975 |
| InChI Key: | UBBUJLAXTGAOSS-UHFFFAOYSA-N |