3-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-propyl-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}-4-propyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-propyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2337 |
| Compound Name: | 3-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}-4-propyl-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C19 H18 N4 O3 S2 |
| Smiles: | CCCN1C(=NS(c2ccccc12)(=O)=O)SCC1=CC(N2C=CC=CC2=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4958 |
| logD: | 2.4958 |
| logSw: | -2.5094 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.95 |
| InChI Key: | QRFPSGLQKREMTJ-UHFFFAOYSA-N |