2-(methylsulfanyl)ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
2-(methylsulfanyl)ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
2-(methylsulfanyl)ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | 8013-2737 |
| Compound Name: | 2-(methylsulfanyl)ethyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 295.42 |
| Molecular Formula: | C14 H17 N O2 S2 |
| Smiles: | CC1=C(C(=O)OCCSC)Sc2cc(C)ccc2N1 |
| Stereo: | ACHIRAL |
| logP: | 3.4069 |
| logD: | 3.4012 |
| logSw: | -3.5543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.022 |
| InChI Key: | UDQSMNUWRVSPST-UHFFFAOYSA-N |