methyl 2-[(7-chloro-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanoate
Chemical Structure Depiction of
methyl 2-[(7-chloro-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanoate
methyl 2-[(7-chloro-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanoate
Compound characteristics
| Compound ID: | G857-0275 |
| Compound Name: | methyl 2-[(7-chloro-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]propanoate |
| Molecular Weight: | 334.8 |
| Molecular Formula: | C11 H11 Cl N2 O4 S2 |
| Smiles: | CC(C(=O)OC)SC1Nc2ccc(cc2S(N=1)(=O)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2716 |
| logD: | 1.6585 |
| logSw: | -3.4149 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.151 |
| InChI Key: | BLWGTXKCIPCBCF-LURJTMIESA-N |