ethyl N-(5-{4-[4-(2-amino-2-oxoethoxy)anilino]phthalazin-1-yl}-2-methylbenzene-1-sulfonyl)glycinate
Chemical Structure Depiction of
ethyl N-(5-{4-[4-(2-amino-2-oxoethoxy)anilino]phthalazin-1-yl}-2-methylbenzene-1-sulfonyl)glycinate
ethyl N-(5-{4-[4-(2-amino-2-oxoethoxy)anilino]phthalazin-1-yl}-2-methylbenzene-1-sulfonyl)glycinate
Compound characteristics
| Compound ID: | 4109-2042 |
| Compound Name: | ethyl N-(5-{4-[4-(2-amino-2-oxoethoxy)anilino]phthalazin-1-yl}-2-methylbenzene-1-sulfonyl)glycinate |
| Molecular Weight: | 549.61 |
| Molecular Formula: | C27 H27 N5 O6 S |
| Smiles: | CCOC(CNS(c1cc(ccc1C)c1c2ccccc2c(Nc2ccc(cc2)OCC(N)=O)nn1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1322 |
| logD: | 3.1301 |
| logSw: | -3.3638 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 134.837 |
| InChI Key: | IFDBMUQVXOCSEO-UHFFFAOYSA-N |