N-[4-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-2253 |
| Compound Name: | N-[4-(2-{[(2,3-dimethoxyphenyl)methyl]amino}-2-oxoethyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C23 H26 N2 O5 S |
| Smiles: | CC1=C(C(Nc2ccc(CC(NCc3cccc(c3OC)OC)=O)cc2)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.2507 |
| logD: | 2.2482 |
| logSw: | -2.8571 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.148 |
| InChI Key: | NWLRDMTUXIILAF-UHFFFAOYSA-N |