ethyl 4-{[5-(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[5-(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate
ethyl 4-{[5-(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate
Compound characteristics
| Compound ID: | D505-0286 |
| Compound Name: | ethyl 4-{[5-(3-ethyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)-2-methylbenzene-1-sulfonyl]amino}benzoate |
| Molecular Weight: | 495.6 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Smiles: | CCN1C(C2CCCCC=2C(c2ccc(C)c(c2)S(Nc2ccc(cc2)C(=O)OCC)(=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5574 |
| logD: | 4.5319 |
| logSw: | -5.2808 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.787 |
| InChI Key: | LCMWAKGLQMNVKL-UHFFFAOYSA-N |