6-ethyl-5-oxo-N-[(thiophen-2-yl)methyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
6-ethyl-5-oxo-N-[(thiophen-2-yl)methyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
6-ethyl-5-oxo-N-[(thiophen-2-yl)methyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0457 |
| Compound Name: | 6-ethyl-5-oxo-N-[(thiophen-2-yl)methyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 395.5 |
| Molecular Formula: | C20 H17 N3 O2 S2 |
| Smiles: | CCN1C(c2cccnc2Sc2cc(ccc12)C(NCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5891 |
| logD: | 3.589 |
| logSw: | -3.8306 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.881 |
| InChI Key: | OSMNVTXYNDSBPZ-UHFFFAOYSA-N |