N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamide
Compound characteristics
| Compound ID: | F809-0518 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[3-(4-methylbenzene-1-sulfonyl)-6-oxopyridazin-1(6H)-yl]acetamide |
| Molecular Weight: | 427.43 |
| Molecular Formula: | C20 H17 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(C1C=CC(N(CC(Nc2ccc3c(c2)OCO3)=O)N=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4466 |
| logD: | 2.4465 |
| logSw: | -3.0551 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.368 |
| InChI Key: | DDVUJSGSHYSPPE-UHFFFAOYSA-N |