N-cyclopentyl-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Chemical Structure Depiction of
N-cyclopentyl-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
N-cyclopentyl-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide
Compound characteristics
| Compound ID: | E523-0657 |
| Compound Name: | N-cyclopentyl-4-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5(6H)-yl)butanamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | C1CCC(C1)NC(CCCN1C(c2ccccc2Sc2c1cccn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8327 |
| logD: | 2.8327 |
| logSw: | -3.6702 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.994 |
| InChI Key: | AFPMWSAUWRXHKN-UHFFFAOYSA-N |