N-(4-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(4-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(4-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0131 |
| Compound Name: | N-(4-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Smiles: | Cc1cccc(CNC(c2ccc(cc2)NC(C2=CSCCO2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.053 |
| logD: | 2.8891 |
| logSw: | -3.3598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.372 |
| InChI Key: | IDJZZIWQQXHJHV-UHFFFAOYSA-N |