N-(2-{[(4-ethoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(4-ethoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[(4-ethoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0965 |
| Compound Name: | N-(2-{[(4-ethoxyphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C21 H22 N2 O4 S |
| Smiles: | CCOc1ccc(CNC(c2ccccc2NC(C2=CSCCO2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9595 |
| logD: | 2.8184 |
| logSw: | -3.636 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.798 |
| InChI Key: | JCXQIZJVJKHGNH-UHFFFAOYSA-N |