methyl 4-({4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzoate
methyl 4-({4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzoate
Compound characteristics
| Compound ID: | 4903-2111 |
| Compound Name: | methyl 4-({4-[4-methyl-3-(4-methylpiperazine-1-sulfonyl)phenyl]phthalazin-1-yl}amino)benzoate |
| Molecular Weight: | 531.63 |
| Molecular Formula: | C28 H29 N5 O4 S |
| Smiles: | Cc1ccc(cc1S(N1CCN(C)CC1)(=O)=O)c1c2ccccc2c(Nc2ccc(cc2)C(=O)OC)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.4693 |
| logD: | 4.4067 |
| logSw: | -4.2175 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.122 |
| InChI Key: | XQTODUUPIVVDBI-UHFFFAOYSA-N |