N-(3-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-(3-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-0446 |
| Compound Name: | N-(3-{[(4-methylphenyl)methyl]carbamoyl}phenyl)-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Smiles: | Cc1ccc(CNC(c2cccc(c2)NC(C2=CSCCO2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0887 |
| logD: | 3.0857 |
| logSw: | -3.2948 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.372 |
| InChI Key: | FCRNDVSXWXKJBR-UHFFFAOYSA-N |