3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-(furan-2-yl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-(furan-2-yl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-(furan-2-yl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-1078 |
| Compound Name: | 3-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-5-(furan-2-yl)-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C21 H22 N4 O6 S |
| Smiles: | CN1C(=CC(c2ccco2)=NS1(=O)=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4084 |
| logD: | 1.2673 |
| logSw: | -2.3777 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.11 |
| InChI Key: | RNHGTLGPVNOVNA-UHFFFAOYSA-N |