2-methyl-5-(4-methylphenyl)-N-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
2-methyl-5-(4-methylphenyl)-N-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
2-methyl-5-(4-methylphenyl)-N-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-1279 |
| Compound Name: | 2-methyl-5-(4-methylphenyl)-N-{1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-pyrazol-4-yl}-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 472.52 |
| Molecular Formula: | C21 H24 N6 O5 S |
| Smiles: | Cc1ccc(cc1)C1C=C(C(Nc2cnn(CC(N3CCOCC3)=O)c2)=O)N(C)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4244 |
| logD: | -0.9507 |
| logSw: | -2.2704 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.125 |
| InChI Key: | JFSOKFXTQVTVIQ-UHFFFAOYSA-N |