4-benzyl-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-benzyl-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
4-benzyl-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2829 |
| Compound Name: | 4-benzyl-3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 422.57 |
| Molecular Formula: | C23 H22 N2 O2 S2 |
| Smiles: | Cc1ccc(C)c(CSC2=NS(c3ccccc3N2Cc2ccccc2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.0417 |
| logD: | 6.0417 |
| logSw: | -5.5115 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.713 |
| InChI Key: | WOHQSZZSHRJJHO-UHFFFAOYSA-N |