N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | P618-0489 |
| Compound Name: | N-[(6-ethyl-5-oxo-5,6-dihydropyrido[2,3-b][1,5]benzothiazepin-9-yl)methyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 433.48 |
| Molecular Formula: | C23 H19 N3 O4 S |
| Smiles: | CCN1C(c2cccnc2Sc2cc(CNC(c3ccc4c(c3)OCO4)=O)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4436 |
| logD: | 3.4436 |
| logSw: | -3.7971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.978 |
| InChI Key: | DFMFIDXRKGNRPR-UHFFFAOYSA-N |