benzyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
benzyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
benzyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | 8014-6792 |
| Compound Name: | benzyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C18 H17 N O2 S |
| Smiles: | CC1=C(C(=O)OCc2ccccc2)Sc2cc(C)ccc2N1 |
| Stereo: | ACHIRAL |
| logP: | 4.4162 |
| logD: | 4.413 |
| logSw: | -4.5346 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.832 |
| InChI Key: | RJYWXTZBYCXUPO-UHFFFAOYSA-N |