N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(3-methylphenoxy)acetamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(3-methylphenoxy)acetamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(3-methylphenoxy)acetamide
Compound characteristics
| Compound ID: | P618-0507 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-(3-methylphenoxy)acetamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C24 H23 N3 O3 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(COc3cccc(C)c3)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9043 |
| logD: | 3.9043 |
| logSw: | -3.9038 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.148 |
| InChI Key: | MGRSEBXZHURGGT-UHFFFAOYSA-N |