2-phenylethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
2-phenylethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
2-phenylethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | 8009-5743 |
| Compound Name: | 2-phenylethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C18 H17 N O2 S |
| Smiles: | CC1=C(C(=O)OCCc2ccccc2)Sc2ccccc2N1 |
| Stereo: | ACHIRAL |
| logP: | 4.3727 |
| logD: | 4.3684 |
| logSw: | -4.331 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.75 |
| InChI Key: | YQZFWNDSEARPOZ-UHFFFAOYSA-N |