3-phenylpropyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
Chemical Structure Depiction of
3-phenylpropyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
3-phenylpropyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate
Compound characteristics
| Compound ID: | 8013-2727 |
| Compound Name: | 3-phenylpropyl 3,7-dimethyl-4H-1,4-benzothiazine-2-carboxylate |
| Molecular Weight: | 339.45 |
| Molecular Formula: | C20 H21 N O2 S |
| Smiles: | CC1=C(C(=O)OCCCc2ccccc2)Sc2cc(C)ccc2N1 |
| Stereo: | ACHIRAL |
| logP: | 5.4467 |
| logD: | 5.441 |
| logSw: | -5.3549 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.75 |
| InChI Key: | VYWXOIHJGFSMFL-UHFFFAOYSA-N |