4-({2-[(4-methoxyphenyl)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzonitrile
Chemical Structure Depiction of
4-({2-[(4-methoxyphenyl)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzonitrile
4-({2-[(4-methoxyphenyl)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzonitrile
Compound characteristics
| Compound ID: | K261-1707 |
| Compound Name: | 4-({2-[(4-methoxyphenyl)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)benzonitrile |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | COc1ccc(CN2C(N(Cc3ccc(C#N)cc3)c3ccccc3S2(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8105 |
| logD: | 3.8105 |
| logSw: | -4.0813 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.559 |
| InChI Key: | TZTJRVNMFWUKEK-UHFFFAOYSA-N |