N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-1082 |
| Compound Name: | N-{1-[(4-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-5-(furan-2-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 457.48 |
| Molecular Formula: | C21 H20 F N5 O4 S |
| Smiles: | Cc1c(c(C)n(Cc2ccc(cc2)F)n1)NC(C1=CC(c2ccco2)=NS(N1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.443 |
| logD: | 0.5485 |
| logSw: | -2.473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.783 |
| InChI Key: | OJHVNRGVKLDFDB-UHFFFAOYSA-N |