methyl 4-[(3-benzyl-4-oxo-2-{[4-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-benzyl-4-oxo-2-{[4-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate
methyl 4-[(3-benzyl-4-oxo-2-{[4-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 8014-7606 |
| Compound Name: | methyl 4-[(3-benzyl-4-oxo-2-{[4-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carbonyl)amino]benzoate |
| Molecular Weight: | 541.55 |
| Molecular Formula: | C27 H22 F3 N3 O4 S |
| Smiles: | COC(c1ccc(cc1)NC(C1CC(N(Cc2ccccc2)\C(=N/c2ccc(cc2)C(F)(F)F)S1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6818 |
| logD: | 5.6803 |
| logSw: | -5.5227 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.313 |
| InChI Key: | SWGYWJZREAYHTL-QFIPXVFZSA-N |