N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-chloro-N'-(4-methylbenzene-1-sulfonyl)benzene-1-carboximidamide
Chemical Structure Depiction of
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-chloro-N'-(4-methylbenzene-1-sulfonyl)benzene-1-carboximidamide
N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-chloro-N'-(4-methylbenzene-1-sulfonyl)benzene-1-carboximidamide
Compound characteristics
| Compound ID: | K058-0328 |
| Compound Name: | N-(6-acetyl-2H-1,3-benzodioxol-5-yl)-4-chloro-N'-(4-methylbenzene-1-sulfonyl)benzene-1-carboximidamide |
| Molecular Weight: | 470.93 |
| Molecular Formula: | C23 H19 Cl N2 O5 S |
| Smiles: | CC(c1cc2c(cc1NC(/c1ccc(cc1)[Cl])=N/S(c1ccc(C)cc1)(=O)=O)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1581 |
| logD: | 3.2127 |
| logSw: | -5.3972 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.933 |
| InChI Key: | ISVKOBCSEZPZAI-UHFFFAOYSA-N |