methyl 2-{2-[3-(3-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(3-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
methyl 2-{2-[3-(3-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F809-0721 |
| Compound Name: | methyl 2-{2-[3-(3-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamido}benzoate |
| Molecular Weight: | 441.46 |
| Molecular Formula: | C21 H19 N3 O6 S |
| Smiles: | Cc1cccc(c1)S(C1C=CC(N(CC(Nc2ccccc2C(=O)OC)=O)N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2036 |
| logD: | 2.1964 |
| logSw: | -3.0656 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.729 |
| InChI Key: | AYRIKSUHLHYDSW-UHFFFAOYSA-N |