3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide
Compound characteristics
| Compound ID: | 8012-5036 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{4-[chloro(difluoro)methoxy]phenyl}-2-[(4-fluorophenyl)imino]-4-oxo-1,3-thiazinane-6-carboxamide |
| Molecular Weight: | 577.97 |
| Molecular Formula: | C26 H19 Cl F3 N3 O5 S |
| Smiles: | C1C(C(Nc2ccc(cc2)OC(F)(F)[Cl])=O)SC(=N/c2ccc(cc2)F)/N(Cc2ccc3c(c2)OCO3)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6062 |
| logD: | 5.606 |
| logSw: | -5.9598 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.752 |
| InChI Key: | MHAFRKLWWWUSCJ-QFIPXVFZSA-N |