N-[4-(cycloheptylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[4-(cycloheptylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[4-(cycloheptylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-1507 |
| Compound Name: | N-[4-(cycloheptylcarbamoyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 374.5 |
| Molecular Formula: | C20 H26 N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccc(cc2)C(NC2CCCCCC2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 3.053 |
| logD: | 2.7437 |
| logSw: | -3.4482 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.07 |
| InChI Key: | XSYFXHUODFETSB-UHFFFAOYSA-N |