N-(2,4-dimethylpentan-3-yl)-2-(3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)acetamide
Chemical Structure Depiction of
N-(2,4-dimethylpentan-3-yl)-2-(3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)acetamide
N-(2,4-dimethylpentan-3-yl)-2-(3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)acetamide
Compound characteristics
| Compound ID: | V006-3240 |
| Compound Name: | N-(2,4-dimethylpentan-3-yl)-2-(3-oxo-4-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene)acetamide |
| Molecular Weight: | 476.56 |
| Molecular Formula: | C25 H27 F3 N2 O2 S |
| Smiles: | CC(C)C(C(C)C)NC(\C=C1/C(N(Cc2cccc(c2)C(F)(F)F)c2ccccc2S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8986 |
| logD: | 6.8986 |
| logSw: | -5.641 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.165 |
| InChI Key: | YFEOIUIWVJBLOZ-UHFFFAOYSA-N |