methyl 4-[(4-{4-[(2-hydroxyethyl)carbamoyl]phenyl}phthalazin-1-yl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(4-{4-[(2-hydroxyethyl)carbamoyl]phenyl}phthalazin-1-yl)amino]benzoate
methyl 4-[(4-{4-[(2-hydroxyethyl)carbamoyl]phenyl}phthalazin-1-yl)amino]benzoate
Compound characteristics
| Compound ID: | 3544-1277 |
| Compound Name: | methyl 4-[(4-{4-[(2-hydroxyethyl)carbamoyl]phenyl}phthalazin-1-yl)amino]benzoate |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C25 H22 N4 O4 |
| Smiles: | COC(c1ccc(cc1)Nc1c2ccccc2c(c2ccc(cc2)C(NCCO)=O)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1445 |
| logD: | 3.1442 |
| logSw: | -3.3666 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.117 |
| InChI Key: | QEDJXTLJGQTACA-UHFFFAOYSA-N |