N-(3-chloro-4-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-(3-chloro-4-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | G290-0064 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 409.89 |
| Molecular Formula: | C21 H16 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0758 |
| logD: | 5.0756 |
| logSw: | -5.1157 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.602 |
| InChI Key: | DLBOUKLJVWRHBX-UHFFFAOYSA-N |