N-(2-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(2-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(2-{[(3-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0817 |
| Compound Name: | N-(2-{[(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(c2ccccc2NC(C2=CSCCO2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2791 |
| logD: | 3.1379 |
| logSw: | -3.6699 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.674 |
| InChI Key: | RYQVADCFJSLCJG-UHFFFAOYSA-N |