4-butyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-butyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
4-butyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2499 |
| Compound Name: | 4-butyl-3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C19 H19 F3 N2 O2 S2 |
| Smiles: | CCCCN1C(=NS(c2ccccc12)(=O)=O)SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.2325 |
| logD: | 5.2325 |
| logSw: | -5.0761 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.963 |
| InChI Key: | KEDYZXKDTUTGMM-UHFFFAOYSA-N |