N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-methoxyphenyl)acetamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-methoxyphenyl)acetamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | P618-0447 |
Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(4-methoxyphenyl)acetamide |
Molecular Weight: | 433.53 |
Molecular Formula: | C24 H23 N3 O3 S |
Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(Cc3ccc(cc3)OC)=O)ccc12)=O |
Stereo: | ACHIRAL |
logP: | 3.389 |
logD: | 3.389 |
logSw: | -3.8513 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.193 |
InChI Key: | HBYFIWXIBGNXBD-UHFFFAOYSA-N |