2-methyl-N-{5-methyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrazol-3-yl}-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
2-methyl-N-{5-methyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrazol-3-yl}-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
2-methyl-N-{5-methyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrazol-3-yl}-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-1254 |
| Compound Name: | 2-methyl-N-{5-methyl-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H-pyrazol-3-yl}-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 470.55 |
| Molecular Formula: | C22 H26 N6 O4 S |
| Smiles: | Cc1ccc(cc1)C1C=C(C(Nc2cc(C)n(CC(N3CCCC3)=O)n2)=O)N(C)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9119 |
| logD: | -1.1859 |
| logSw: | -2.7748 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.573 |
| InChI Key: | BOWAVGJCASFNLV-UHFFFAOYSA-N |