4-oxo-3-(2-phenylethyl)-2-{[4-(trifluoromethoxy)phenyl]imino}-1,3-thiazinane-6-carboxylic acid
Chemical Structure Depiction of
4-oxo-3-(2-phenylethyl)-2-{[4-(trifluoromethoxy)phenyl]imino}-1,3-thiazinane-6-carboxylic acid
4-oxo-3-(2-phenylethyl)-2-{[4-(trifluoromethoxy)phenyl]imino}-1,3-thiazinane-6-carboxylic acid
Compound characteristics
| Compound ID: | 8010-4138 |
| Compound Name: | 4-oxo-3-(2-phenylethyl)-2-{[4-(trifluoromethoxy)phenyl]imino}-1,3-thiazinane-6-carboxylic acid |
| Molecular Weight: | 438.42 |
| Molecular Formula: | C20 H17 F3 N2 O4 S |
| Smiles: | C(CN1\C(=N/c2ccc(cc2)OC(F)(F)F)SC(CC1=O)C(O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1434 |
| logD: | 1.7093 |
| logSw: | -4.2652 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.371 |
| InChI Key: | BZKWMVSZSDGTIK-INIZCTEOSA-N |