5-(4-fluorophenyl)-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
5-(4-fluorophenyl)-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
5-(4-fluorophenyl)-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0563 |
| Compound Name: | 5-(4-fluorophenyl)-N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 457.46 |
| Molecular Formula: | C21 H17 F2 N5 O3 S |
| Smiles: | CN1C(=CC(c2ccc(cc2)F)=NS1(=O)=O)C(Nc1cnn(Cc2ccc(cc2)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6398 |
| logD: | 1.4061 |
| logSw: | -3.0818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.824 |
| InChI Key: | MHCXOSXIJMGIRA-UHFFFAOYSA-N |