N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2093 |
| Compound Name: | N-[4-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C22 H22 N2 O5 S |
| Smiles: | CC1=C(C(Nc2ccc(CC(NCc3ccc4c(c3)OCO4)=O)cc2)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.0229 |
| logD: | 2.0203 |
| logSw: | -2.9205 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.916 |
| InChI Key: | KDSPGKPHEJIZJM-UHFFFAOYSA-N |