5-oxo-6-(propan-2-yl)-N-[2-(thiophen-2-yl)ethyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
5-oxo-6-(propan-2-yl)-N-[2-(thiophen-2-yl)ethyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
5-oxo-6-(propan-2-yl)-N-[2-(thiophen-2-yl)ethyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0593 |
| Compound Name: | 5-oxo-6-(propan-2-yl)-N-[2-(thiophen-2-yl)ethyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 423.55 |
| Molecular Formula: | C22 H21 N3 O2 S2 |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)C(NCCc1cccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7524 |
| logD: | 3.7524 |
| logSw: | -3.9892 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.718 |
| InChI Key: | CXBUYTOGFFQMTE-UHFFFAOYSA-N |