methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Chemical Structure Depiction of
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Compound characteristics
| Compound ID: | C636-0285 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate |
| Molecular Weight: | 414.41 |
| Molecular Formula: | C20 H15 F N2 O5 S |
| Smiles: | COC(C1=CC(N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(cc2)F)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6639 |
| logD: | 3.6637 |
| logSw: | -3.9707 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.337 |
| InChI Key: | DWHQGKVVKSLONA-UHFFFAOYSA-N |