2-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-4H-1,3-benzothiazin-4-one
Chemical Structure Depiction of
2-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-4H-1,3-benzothiazin-4-one
2-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-4H-1,3-benzothiazin-4-one
Compound characteristics
| Compound ID: | 8019-4027 |
| Compound Name: | 2-{[(2,1,3-benzothiadiazol-5-yl)methyl]sulfanyl}-4H-1,3-benzothiazin-4-one |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C15 H9 N3 O S3 |
| Smiles: | C(c1ccc2c(c1)nsn2)SC1=NC(c2ccccc2S1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7957 |
| logD: | 3.7957 |
| logSw: | -4.0619 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.524 |
| InChI Key: | UILPBCJNZHSVKK-UHFFFAOYSA-N |