5-(2H-1,3-benzodioxol-5-yl)-2-methyl-3-(4-methylpiperazine-1-carbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-2-methyl-3-(4-methylpiperazine-1-carbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
5-(2H-1,3-benzodioxol-5-yl)-2-methyl-3-(4-methylpiperazine-1-carbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0933 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-2-methyl-3-(4-methylpiperazine-1-carbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C17 H20 N4 O5 S |
| Smiles: | CN1CCN(CC1)C(C1=CC(c2ccc3c(c2)OCO3)=NS(N1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8365 |
| logD: | 0.742 |
| logSw: | -2.1927 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.468 |
| InChI Key: | VNWGSFBXDBIGOQ-UHFFFAOYSA-N |