4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | G290-1178 |
| Compound Name: | 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C24 H24 N4 O4 S2 |
| Smiles: | C(CC(NCCc1ccc(cc1)S(N)(=O)=O)=O)CN1C(c2cccnc2Sc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3446 |
| logD: | 1.3439 |
| logSw: | -2.4057 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 101.348 |
| InChI Key: | VVBGDEHTSDPPTL-UHFFFAOYSA-N |