5-oxo-6-(propan-2-yl)-N-[3-(pyrrolidin-1-yl)propyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
5-oxo-6-(propan-2-yl)-N-[3-(pyrrolidin-1-yl)propyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
5-oxo-6-(propan-2-yl)-N-[3-(pyrrolidin-1-yl)propyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0615 |
| Compound Name: | 5-oxo-6-(propan-2-yl)-N-[3-(pyrrolidin-1-yl)propyl]-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C23 H28 N4 O2 S |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)C(NCCCN1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.798 |
| logD: | -0.2345 |
| logSw: | -3.4974 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.049 |
| InChI Key: | DSOHNKWTSPVRBX-UHFFFAOYSA-N |