methyl 3-({2-[(4-fluorophenyl)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)-4-methoxybenzoate
Chemical Structure Depiction of
methyl 3-({2-[(4-fluorophenyl)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)-4-methoxybenzoate
methyl 3-({2-[(4-fluorophenyl)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)-4-methoxybenzoate
Compound characteristics
| Compound ID: | K261-1585 |
| Compound Name: | methyl 3-({2-[(4-fluorophenyl)methyl]-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl}methyl)-4-methoxybenzoate |
| Molecular Weight: | 484.5 |
| Molecular Formula: | C24 H21 F N2 O6 S |
| Smiles: | COC(c1ccc(c(CN2C(N(Cc3ccc(cc3)F)S(c3ccccc23)(=O)=O)=O)c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2321 |
| logD: | 4.2321 |
| logSw: | -4.3631 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.763 |
| InChI Key: | QTMBZDNQDSCZKN-UHFFFAOYSA-N |