N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-N'-(4-methylbenzene-1-sulfonyl)benzenecarboximidamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-N'-(4-methylbenzene-1-sulfonyl)benzenecarboximidamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-N'-(4-methylbenzene-1-sulfonyl)benzenecarboximidamide
Compound characteristics
| Compound ID: | K058-0330 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-N'-(4-methylbenzene-1-sulfonyl)benzenecarboximidamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C23 H20 N2 O5 S |
| Smiles: | CC(c1cc2c(cc1NC(/c1ccccc1)=N/S(c1ccc(C)cc1)(=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4583 |
| logD: | 3.416 |
| logSw: | -4.2851 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.933 |
| InChI Key: | ITAOOJWAJMEEOD-UHFFFAOYSA-N |