methyl 4-{[2-ethyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-ethyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]amino}benzoate
methyl 4-{[2-ethyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | F153-1429 |
| Compound Name: | methyl 4-{[2-ethyl-5-(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 467.54 |
| Molecular Formula: | C24 H25 N3 O5 S |
| Smiles: | CCc1ccc(cc1S(Nc1ccc(cc1)C(=O)OC)(=O)=O)C1C2CCCCC=2C(NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2668 |
| logD: | 4.2412 |
| logSw: | -5.1821 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.374 |
| InChI Key: | FDNQQKLOLZDGGM-UHFFFAOYSA-N |