N-(4-bromo-3-methylphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-(4-bromo-3-methylphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | G290-1147 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 482.4 |
| Molecular Formula: | C23 H20 Br N3 O2 S |
| Smiles: | Cc1cc(ccc1[Br])NC(CCCN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6836 |
| logD: | 4.6835 |
| logSw: | -4.2417 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.581 |
| InChI Key: | QVKPLOZLRGKUEY-UHFFFAOYSA-N |