N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Compound characteristics
| Compound ID: | P618-0477 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C24 H21 N3 O4 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(C3COc4ccccc4O3)=O)ccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2377 |
| logD: | 3.2377 |
| logSw: | -3.6276 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.3 |
| InChI Key: | HUDRXDFSSCMMNA-FQEVSTJZSA-N |