N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-1188 |
| Compound Name: | N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-2-methyl-1,1-dioxo-5-(thiophen-2-yl)-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C22 H23 N5 O3 S2 |
| Smiles: | Cc1ccccc1Cn1c(C)c(c(C)n1)NC(C1=CC(c2cccs2)=NS(N1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9428 |
| logD: | 2.0483 |
| logSw: | -3.3049 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.223 |
| InChI Key: | YYRWGILRQSLSFB-UHFFFAOYSA-N |