N-[(3-methylphenyl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-[(3-methylphenyl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | G290-0081 |
| Compound Name: | N-[(3-methylphenyl)methyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 389.47 |
| Molecular Formula: | C22 H19 N3 O2 S |
| Smiles: | Cc1cccc(CNC(CN2C(c3cccnc3Sc3ccccc23)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9519 |
| logD: | 3.9519 |
| logSw: | -3.997 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.924 |
| InChI Key: | HGSBTJOUCAINAQ-UHFFFAOYSA-N |