N-[5-(azepane-1-carbonyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-[5-(azepane-1-carbonyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-[5-(azepane-1-carbonyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
| Compound ID: | G370-1349 |
| Compound Name: | N-[5-(azepane-1-carbonyl)-2-methylphenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide |
| Molecular Weight: | 360.47 |
| Molecular Formula: | C19 H24 N2 O3 S |
| Smiles: | Cc1ccc(cc1NC(C1=CSCCO1)=O)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4719 |
| logD: | 2.4709 |
| logSw: | -2.8841 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.24 |
| InChI Key: | YBRPYKBHUZNBIT-UHFFFAOYSA-N |