5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0551 |
| Compound Name: | 5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)C(NCCCN1CCCC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6836 |
| logD: | 1.6836 |
| logSw: | -2.6153 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.212 |
| InChI Key: | IDOHCPTYOLNQNH-UHFFFAOYSA-N |