N-(4-{[(2-ethoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(4-{[(2-ethoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(4-{[(2-ethoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1702 |
| Compound Name: | N-(4-{[(2-ethoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C22 H24 N2 O4 S |
| Smiles: | CCOc1ccccc1CNC(c1ccc(cc1)NC(C1=C(C)OCCS1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8338 |
| logD: | 2.5245 |
| logSw: | -3.4008 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.224 |
| InChI Key: | YLMDKIAOMIYXSH-UHFFFAOYSA-N |