N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-phenoxyacetamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-phenoxyacetamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-phenoxyacetamide
Compound characteristics
| Compound ID: | P618-0500 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2-phenoxyacetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(COc3ccccc3)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3845 |
| logD: | 3.3845 |
| logSw: | -3.8327 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.148 |
| InChI Key: | NRXLTACLUBJUCQ-UHFFFAOYSA-N |