N-[3-(morpholin-4-yl)propyl]-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Chemical Structure Depiction of
N-[3-(morpholin-4-yl)propyl]-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
N-[3-(morpholin-4-yl)propyl]-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide
Compound characteristics
| Compound ID: | P617-0547 |
| Compound Name: | N-[3-(morpholin-4-yl)propyl]-5-oxo-6-(propan-2-yl)-5,6-dihydropyrido[2,3-b][1,5]benzothiazepine-9-carboxamide |
| Molecular Weight: | 440.56 |
| Molecular Formula: | C23 H28 N4 O3 S |
| Smiles: | CC(C)N1C(c2cccnc2Sc2cc(ccc12)C(NCCCN1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0554 |
| logD: | 1.6671 |
| logSw: | -2.9741 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.591 |
| InChI Key: | KXRZNZZMESPZLV-UHFFFAOYSA-N |