3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-methylphenyl)-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-methylphenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-methylphenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide
Compound characteristics
| Compound ID: | 2738-0135 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(3-methylphenyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide |
| Molecular Weight: | 541.55 |
| Molecular Formula: | C27 H22 F3 N3 O4 S |
| Smiles: | Cc1cccc(c1)NC(C1CC(N(Cc2ccc3c(c2)OCO3)/C(=N/c2cccc(c2)C(F)(F)F)S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.986 |
| logD: | 5.9849 |
| logSw: | -5.6131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.254 |
| InChI Key: | YBBHOWPDUABGOD-QHCPKHFHSA-N |