N-(2-{[(4-ethoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-ethoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-(2-{[(4-ethoxyphenyl)methyl]carbamoyl}phenyl)-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0295 |
| Compound Name: | N-(2-{[(4-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: | CCOc1ccc(CNC(c2ccccc2NC(C2=C(C)OCCS2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8195 |
| logD: | 2.5477 |
| logSw: | -3.5438 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.439 |
| InChI Key: | UAPNSNAXQOOCCQ-UHFFFAOYSA-N |