N-[(3-bromophenyl)methyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
N-[(3-bromophenyl)methyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide
Compound characteristics
| Compound ID: | E523-0280 |
| Compound Name: | N-[(3-bromophenyl)methyl]-2-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)acetamide |
| Molecular Weight: | 454.34 |
| Molecular Formula: | C21 H16 Br N3 O2 S |
| Smiles: | C(c1cccc(c1)[Br])NC(CN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7507 |
| logD: | 3.7507 |
| logSw: | -4.1371 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.924 |
| InChI Key: | YHTKESRMCPTETN-UHFFFAOYSA-N |