methyl 4-({5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonyl}amino)benzoate
methyl 4-({5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonyl}amino)benzoate
Compound characteristics
| Compound ID: | F946-0219 |
| Compound Name: | methyl 4-({5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxo-1,6-dihydropyridazin-3-yl]-2-methylbenzene-1-sulfonyl}amino)benzoate |
| Molecular Weight: | 494.53 |
| Molecular Formula: | C24 H22 N4 O6 S |
| Smiles: | Cc1ccc(cc1S(Nc1ccc(cc1)C(=O)OC)(=O)=O)C1C=CC(N(c2c(C)noc2C)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7665 |
| logD: | 2.741 |
| logSw: | -4.2258 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.388 |
| InChI Key: | YTXCJKSTMVGFTM-UHFFFAOYSA-N |