N-[(2-bromophenyl)methyl]-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
N-[(2-bromophenyl)methyl]-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide
Compound characteristics
| Compound ID: | E523-0562 |
| Compound Name: | N-[(2-bromophenyl)methyl]-3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)propanamide |
| Molecular Weight: | 468.37 |
| Molecular Formula: | C22 H18 Br N3 O2 S |
| Smiles: | C(CN1C(c2ccccc2Sc2c1cccn2)=O)C(NCc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0689 |
| logD: | 4.0689 |
| logSw: | -4.2907 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.903 |
| InChI Key: | WZVOIZWUDBBHJV-UHFFFAOYSA-N |