N-[1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-1H-pyrazol-3-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-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-[1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-1249 |
| Compound Name: | N-[1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-1H-pyrazol-3-yl]-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C23 H24 N6 O5 S |
| Smiles: | Cc1ccc(cc1)C1C=C(C(Nc2cc(C)n(CC(NCc3ccco3)=O)n2)=O)N(C)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5096 |
| logD: | -0.5882 |
| logSw: | -2.9632 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.035 |
| InChI Key: | JYYWNQGKLNMJFT-UHFFFAOYSA-N |