N-(1-butyl-1H-pyrazol-4-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-butyl-1H-pyrazol-4-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
N-(1-butyl-1H-pyrazol-4-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0197 |
| Compound Name: | N-(1-butyl-1H-pyrazol-4-yl)-2-methyl-5-(4-methylphenyl)-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | CCCCn1cc(cn1)NC(C1=CC(c2ccc(C)cc2)=NS(N1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7939 |
| logD: | 0.9371 |
| logSw: | -3.3706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.074 |
| InChI Key: | ICEWSXYCLSFEAH-UHFFFAOYSA-N |