3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-bromophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-bromophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-bromophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
Compound characteristics
| Compound ID: | 2738-0366 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-bromophenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide |
| Molecular Weight: | 606.42 |
| Molecular Formula: | C26 H19 Br F3 N3 O4 S |
| Smiles: | C1C(C(Nc2cccc(c2)[Br])=O)SC(=N/c2cccc(c2)C(F)(F)F)\N(Cc2ccc3c(c2)OCO3)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4341 |
| logD: | 6.4327 |
| logSw: | -6.2662 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.254 |
| InChI Key: | NKTRQDOTYLTLPR-QFIPXVFZSA-N |