N-(4-bromo-2-fluorophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-(4-bromo-2-fluorophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | G290-1117 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 486.36 |
| Molecular Formula: | C22 H17 Br F N3 O2 S |
| Smiles: | C(CC(Nc1ccc(cc1F)[Br])=O)CN1C(c2cccnc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1895 |
| logD: | 4.1741 |
| logSw: | -4.2699 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.883 |
| InChI Key: | UHIOHMGSLPJTBP-UHFFFAOYSA-N |