N-(4-bromophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-(4-bromophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | C798-1080 |
| Compound Name: | N-(4-bromophenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 440.32 |
| Molecular Formula: | C20 H14 Br N3 O2 S |
| Smiles: | C(C(Nc1ccc(cc1)[Br])=O)N1C(c2cccnc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5195 |
| logD: | 4.5194 |
| logSw: | -4.4746 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.602 |
| InChI Key: | BVLNETAMCHNIRO-UHFFFAOYSA-N |