5-(2H-1,3-benzodioxol-5-yl)-N-(1-butyl-1H-pyrazol-4-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-N-(1-butyl-1H-pyrazol-4-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
5-(2H-1,3-benzodioxol-5-yl)-N-(1-butyl-1H-pyrazol-4-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide
Compound characteristics
| Compound ID: | E135-0991 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-N-(1-butyl-1H-pyrazol-4-yl)-2-methyl-1,1-dioxo-1,2-dihydro-1lambda~6~,2,6-thiadiazine-3-carboxamide |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C19 H21 N5 O5 S |
| Smiles: | CCCCn1cc(cn1)NC(C1=CC(c2ccc3c(c2)OCO3)=NS(N1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2494 |
| logD: | 0.3927 |
| logSw: | -3.0312 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.19 |
| InChI Key: | AGLLHZPSFOZASA-UHFFFAOYSA-N |