methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]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-(ethoxycarbonyl)phenyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Compound characteristics
| Compound ID: | C636-0283 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate |
| Molecular Weight: | 468.48 |
| Molecular Formula: | C23 H20 N2 O7 S |
| Smiles: | CCOC(c1ccc(cc1)/N=C1/N(Cc2ccc3c(c2)OCO3)C(C=C(C(=O)OC)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2362 |
| logD: | 4.2362 |
| logSw: | -4.3922 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.09 |
| InChI Key: | BPKFVEYHURNAKF-UHFFFAOYSA-N |