N-(2-bromophenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-(2-bromophenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-(2-bromophenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | G290-0798 |
| Compound Name: | N-(2-bromophenyl)-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 454.34 |
| Molecular Formula: | C21 H16 Br N3 O2 S |
| Smiles: | C(CN1C(c2cccnc2Sc2ccccc12)=O)C(Nc1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.025 |
| logD: | 4.0249 |
| logSw: | -4.3185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.883 |
| InChI Key: | NGSDIVDJVSKOLM-UHFFFAOYSA-N |