5-(2H-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)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-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
5-(2H-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0946 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-methyl-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 472.49 |
| Molecular Formula: | C22 H21 F N4 O5 S |
| Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8044 |
| logD: | 2.8044 |
| logSw: | -3.3766 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.251 |
| InChI Key: | GJLQUSXXMAHLFG-UHFFFAOYSA-N |