3-{[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Chemical Structure Depiction of
3-{[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
3-{[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
Compound characteristics
| Compound ID: | K261-2833 |
| Compound Name: | 3-{[(4-benzyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C23 H20 N2 O4 S2 |
| Smiles: | COc1ccc(C=O)cc1CSC1=NS(c2ccccc2N1Cc1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4217 |
| logD: | 4.4217 |
| logSw: | -4.3387 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.503 |
| InChI Key: | FVUPKUVZQRAPKA-UHFFFAOYSA-N |