3-{[2-(4-fluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[2-(4-fluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
3-{[2-(4-fluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | K261-2480 |
| Compound Name: | 3-{[2-(4-fluorophenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]methyl}benzonitrile |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C21 H14 F N3 O3 S |
| Smiles: | C(c1cccc(C#N)c1)N1C(N(c2ccc(cc2)F)S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8582 |
| logD: | 3.8582 |
| logSw: | -4.1208 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.799 |
| InChI Key: | DPRXYNQXGKTCKN-UHFFFAOYSA-N |