4-benzyl-3-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
4-benzyl-3-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
4-benzyl-3-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2989 |
| Compound Name: | 4-benzyl-3-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | C1Cc2ccccc2N(C1)C(CSC1=NS(c2ccccc2N1Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6462 |
| logD: | 4.6462 |
| logSw: | -4.5537 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.77 |
| InChI Key: | VQYHZUFUANJJIY-UHFFFAOYSA-N |