5-(2H-1,3-benzodioxol-5-yl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
5-(2H-1,3-benzodioxol-5-yl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0984 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 472.48 |
| Molecular Formula: | C21 H20 N4 O7 S |
| Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(N1CCN(CC1)C(c1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2267 |
| logD: | 1.2267 |
| logSw: | -2.2649 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 104.026 |
| InChI Key: | LRMPXSJLMOYNQM-UHFFFAOYSA-N |