N-{[4-(dimethylamino)phenyl]methyl}-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
N-{[4-(dimethylamino)phenyl]methyl}-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | G290-1320 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)butanamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CN(C)c1ccc(CNC(CCCN2C(c3cccnc3Sc3ccccc23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2993 |
| logD: | 3.2839 |
| logSw: | -3.7862 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.708 |
| InChI Key: | OAXQOXHRNGAKHF-UHFFFAOYSA-N |