2-methyl-5-(4-methylphenyl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-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-methylphenyl)methyl]-1H-pyrazol-3-yl}-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
2-methyl-5-(4-methylphenyl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0188 |
| Compound Name: | 2-methyl-5-(4-methylphenyl)-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl}-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 449.53 |
| Molecular Formula: | C23 H23 N5 O3 S |
| Smiles: | Cc1ccc(cc1)C1C=C(C(Nc2ccn(Cc3ccccc3C)n2)=O)N(C)S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0885 |
| logD: | 2.2103 |
| logSw: | -4.1566 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.274 |
| InChI Key: | UNWTXDQDLRTELQ-UHFFFAOYSA-N |