N-benzyl-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-benzyl-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-benzyl-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | G290-1081 |
| Compound Name: | N-benzyl-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 403.5 |
| Molecular Formula: | C23 H21 N3 O2 S |
| Smiles: | C(CC(NCc1ccccc1)=O)CN1C(c2cccnc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2093 |
| logD: | 3.2093 |
| logSw: | -3.6569 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.903 |
| InChI Key: | UWCDYEUFEKZMRT-UHFFFAOYSA-N |