N-(4-bromo-2-fluorophenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
N-(4-bromo-2-fluorophenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Compound characteristics
| Compound ID: | E523-0404 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide |
| Molecular Weight: | 472.33 |
| Molecular Formula: | C21 H15 Br F N3 O2 S |
| Smiles: | C(CN1C(c2ccccc2Sc2c1cccn2)=O)C(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1772 |
| logD: | 4.1175 |
| logSw: | -4.2881 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.883 |
| InChI Key: | LTCQRLYDZGSUKZ-UHFFFAOYSA-N |