methyl 4-{2-[3-(4-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[3-(4-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
methyl 4-{2-[3-(4-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F809-0514 |
| Compound Name: | methyl 4-{2-[3-(4-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(C1C=CC(N(CC(Nc2ccc(cc2)C(=O)OC)=O)N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7042 |
| logD: | 2.7041 |
| logSw: | -3.1575 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.426 |
| InChI Key: | OTNTVWZORURHCI-UHFFFAOYSA-N |