methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-chloro-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-[(3-chloro-4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-chloro-4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate
Compound characteristics
| Compound ID: | C636-0284 |
| Compound Name: | methyl 3-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(3-chloro-4-fluorophenyl)imino]-4-oxo-3,4-dihydro-2H-1,3-thiazine-6-carboxylate |
| Molecular Weight: | 448.86 |
| Molecular Formula: | C20 H14 Cl F N2 O5 S |
| Smiles: | COC(C1=CC(N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(c(c2)[Cl])F)S1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4095 |
| logD: | 4.4095 |
| logSw: | -4.5637 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.337 |
| InChI Key: | PFIPZXXQTWUFKP-UHFFFAOYSA-N |