N-[3-(azepane-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Chemical Structure Depiction of
N-[3-(azepane-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
N-[3-(azepane-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide
Compound characteristics
Compound ID: | G370-0347 |
Compound Name: | N-[3-(azepane-1-carbonyl)phenyl]-5,6-dihydro-1,4-oxathiine-2-carboxamide |
Molecular Weight: | 346.45 |
Molecular Formula: | C18 H22 N2 O3 S |
Smiles: | C1CCCN(CC1)C(c1cccc(c1)NC(C1=CSCCO1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4923 |
logD: | 2.4917 |
logSw: | -2.9845 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.938 |
InChI Key: | ACIZEJNYOMVCHB-UHFFFAOYSA-N |