4-benzyl-3-{[(3-methoxyphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-benzyl-3-{[(3-methoxyphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
4-benzyl-3-{[(3-methoxyphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2858 |
| Compound Name: | 4-benzyl-3-{[(3-methoxyphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C22 H20 N2 O3 S2 |
| Smiles: | COc1cccc(CSC2=NS(c3ccccc3N2Cc2ccccc2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.8696 |
| logD: | 4.8696 |
| logSw: | -4.6136 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.257 |
| InChI Key: | OHUVPKAJDBUHEJ-UHFFFAOYSA-N |