N-[3-(butylsulfanyl)propyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-[3-(butylsulfanyl)propyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
N-[3-(butylsulfanyl)propyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E523-0807 |
| Compound Name: | N-[3-(butylsulfanyl)propyl]-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 443.63 |
| Molecular Formula: | C23 H29 N3 O2 S2 |
| Smiles: | CCCCSCCCNC(CCCN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2507 |
| logD: | 3.2507 |
| logSw: | -3.6803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.016 |
| InChI Key: | GIBZTVGEEXRFFB-UHFFFAOYSA-N |