3-{[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
3-{[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-1832 |
| Compound Name: | 3-{[2-(3-methoxyphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 419.46 |
| Molecular Formula: | C22 H17 N3 O4 S |
| Smiles: | COc1cccc(c1)N1C(N(Cc2cccc(C#N)c2)c2ccccc2S1(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9714 |
| logD: | 3.9714 |
| logSw: | -4.203 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.343 |
| InChI Key: | MWZLITVTPNDAQH-UHFFFAOYSA-N |