N-[2-(morpholin-4-yl)ethyl]-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-[2-(morpholin-4-yl)ethyl]-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-[2-(morpholin-4-yl)ethyl]-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0563 |
| Compound Name: | N-[2-(morpholin-4-yl)ethyl]-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C22 H26 N4 O3 S |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)C(NCCN1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9322 |
| logD: | 1.9181 |
| logSw: | -2.7872 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.591 |
| InChI Key: | AOFVOLDATLDOBK-UHFFFAOYSA-N |