5-(2H-1,3-benzodioxol-5-yl)-2-methyl-3-(4-phenylpiperazine-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-phenylpiperazine-1-carbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
5-(2H-1,3-benzodioxol-5-yl)-2-methyl-3-(4-phenylpiperazine-1-carbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione
Compound characteristics
| Compound ID: | E135-0945 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-2-methyl-3-(4-phenylpiperazine-1-carbonyl)-1lambda~6~,2,6-thiadiazine-1,1(2H)-dione |
| Molecular Weight: | 454.5 |
| Molecular Formula: | C22 H22 N4 O5 S |
| Smiles: | CN1C(=CC(c2ccc3c(c2)OCO3)=NS1(=O)=O)C(N1CCN(CC1)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6537 |
| logD: | 2.6537 |
| logSw: | -3.1981 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.251 |
| InChI Key: | DFGNLBCEBOKTMZ-UHFFFAOYSA-N |