3-{[(3-bromophenyl)methyl]sulfanyl}-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[(3-bromophenyl)methyl]sulfanyl}-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[(3-bromophenyl)methyl]sulfanyl}-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2491 |
| Compound Name: | 3-{[(3-bromophenyl)methyl]sulfanyl}-4-butyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 439.39 |
| Molecular Formula: | C18 H19 Br N2 O2 S2 |
| Smiles: | CCCCN1C(=NS(c2ccccc12)(=O)=O)SCc1cccc(c1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.1867 |
| logD: | 5.1867 |
| logSw: | -4.9872 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.963 |
| InChI Key: | XJRHFGLMMXZQLQ-UHFFFAOYSA-N |