N-cyclooctyl-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Chemical Structure Depiction of
N-cyclooctyl-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
N-cyclooctyl-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide
Compound characteristics
| Compound ID: | C798-1012 |
| Compound Name: | N-cyclooctyl-3-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)propanamide |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | C1CCCC(CCC1)NC(CCN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7986 |
| logD: | 4.7986 |
| logSw: | -4.6065 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.959 |
| InChI Key: | MIZGKYYXUAHVLH-UHFFFAOYSA-N |