N-(2-{[(4-ethoxy-3-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-ethoxy-3-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-{[(4-ethoxy-3-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0516 |
| Compound Name: | N-(2-{[(4-ethoxy-3-methoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C23 H26 N2 O5 S |
| Smiles: | CCOc1ccc(CNC(c2ccccc2NC(C2=C(C)OCCS2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.411 |
| logD: | 2.1392 |
| logSw: | -3.055 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.156 |
| InChI Key: | HQBUGOSIWPJSBH-UHFFFAOYSA-N |