3-({2-[(4-fluorophenyl)methyl]-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)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzonitrile
3-({2-[(4-fluorophenyl)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | C200-9261 |
| Compound Name: | 3-({2-[(4-fluorophenyl)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzonitrile |
| Molecular Weight: | 421.45 |
| Molecular Formula: | C22 H16 F N3 O3 S |
| Smiles: | C(c1cccc(C#N)c1)N1C(N(Cc2ccc(cc2)F)S(c2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7773 |
| logD: | 3.7773 |
| logSw: | -4.1153 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.016 |
| InChI Key: | DTRSYYZYYINDID-UHFFFAOYSA-N |