4-{[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile
4-{[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-1670 |
| Compound Name: | 4-{[(1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}benzonitrile |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C15 H11 N3 O2 S2 |
| Smiles: | C(c1ccc(C#N)cc1)SC1Nc2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1058 |
| logD: | 2.0713 |
| logSw: | -2.5886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.762 |
| InChI Key: | ZAAXPTSWZXDVJP-UHFFFAOYSA-N |