3-{[(3-nitrophenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[(3-nitrophenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[(3-nitrophenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2107 |
| Compound Name: | 3-{[(3-nitrophenyl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 349.38 |
| Molecular Formula: | C14 H11 N3 O4 S2 |
| Smiles: | C(c1cccc(c1)[N+]([O-])=O)SC1Nc2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5911 |
| logD: | 2.5566 |
| logSw: | -2.964 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.087 |
| InChI Key: | CNJNATQWWSRFRE-UHFFFAOYSA-N |