N-[4-(benzylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-(benzylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-(benzylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | C799-0251 |
| Compound Name: | N-[4-(benzylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 368.45 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NCc2ccccc2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.2245 |
| logD: | 1.9152 |
| logSw: | -2.7748 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.014 |
| InChI Key: | OSEKSNSOSQSYRK-UHFFFAOYSA-N |