methyl 4-[(3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate
methyl 4-[(3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 2738-0375 |
| Compound Name: | methyl 4-[(3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate |
| Molecular Weight: | 585.56 |
| Molecular Formula: | C28 H22 F3 N3 O6 S |
| Smiles: | COC(c1ccc(cc1)NC(C1CC(N(Cc2ccc3c(c2)OCO3)/C(=N/c2cccc(c2)C(F)(F)F)S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7168 |
| logD: | 5.7155 |
| logSw: | -5.6014 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.428 |
| InChI Key: | FDQUAYDECXUWGY-QHCPKHFHSA-N |