N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0189 |
| Compound Name: | N-{1-[(4-fluorophenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C22 H20 F N5 O3 S |
| Smiles: | Cc1ccc(cc1)C1C=C(C(Nc2cnn(Cc3ccc(cc3)F)c2)=O)N(C)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0341 |
| logD: | 1.8004 |
| logSw: | -3.3567 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.824 |
| InChI Key: | GSHXLBFIKOUFFP-UHFFFAOYSA-N |