3-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Chemical Structure Depiction of
3-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
3-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
Compound characteristics
| Compound ID: | K261-2127 |
| Compound Name: | 3-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C18 H17 N3 O4 S2 |
| Smiles: | Cc1ccc2c(c1)N(CCO2)C(CSC1Nc2ccccc2S(N=1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3747 |
| logD: | 2.3183 |
| logSw: | -2.8805 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.714 |
| InChI Key: | MZSUINVGLXAWAT-UHFFFAOYSA-N |