3-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2112 |
| Compound Name: | 3-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C16 H12 N4 O3 S2 |
| Smiles: | C(C1=CC(N2C=CC=CC2=N1)=O)SC1Nc2ccccc2S(N=1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2233 |
| logD: | 1.1538 |
| logSw: | -2.2167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.692 |
| InChI Key: | UAIUBKJQNZPMSR-UHFFFAOYSA-N |