N-[2-(azepane-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Chemical Structure Depiction of
N-[2-(azepane-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
N-[2-(azepane-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide
Compound characteristics
| Compound ID: | E532-0008 |
| Compound Name: | N-[2-(azepane-1-carbonyl)phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide |
| Molecular Weight: | 360.47 |
| Molecular Formula: | C19 H24 N2 O3 S |
| Smiles: | CC1=C(C(Nc2ccccc2C(N2CCCCCC2)=O)=O)SCCO1 |
| Stereo: | ACHIRAL |
| logP: | 2.4178 |
| logD: | 1.6095 |
| logSw: | -3.0574 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.882 |
| InChI Key: | OYSDLLVMAPDTLG-UHFFFAOYSA-N |