4-butyl-3-{[(4-ethenylphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-butyl-3-{[(4-ethenylphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
4-butyl-3-{[(4-ethenylphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2576 |
| Compound Name: | 4-butyl-3-{[(4-ethenylphenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 386.53 |
| Molecular Formula: | C20 H22 N2 O2 S2 |
| Smiles: | CCCCN1C(=NS(c2ccccc12)(=O)=O)SCc1ccc(C=C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7926 |
| logD: | 4.7926 |
| logSw: | -4.3889 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.963 |
| InChI Key: | YJAPPJMYTVXANG-UHFFFAOYSA-N |