2-{[2-(4-acetylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[2-(4-acetylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
2-{[2-(4-acetylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-1224 |
| Compound Name: | 2-{[2-(4-acetylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C23 H17 N3 O4 S |
| Smiles: | CC(c1ccc(cc1)N1C(N(Cc2ccccc2C#N)c2ccccc2S1(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.462 |
| logD: | 3.462 |
| logSw: | -3.8006 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 77.626 |
| InChI Key: | OXUHOBUMPAHJCR-UHFFFAOYSA-N |