N-[3-(azepan-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-[3-(azepan-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | G290-0158 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C23 H28 N4 O2 S |
| Smiles: | C1CCCN(CC1)CCCNC(CN1C(c2cccnc2Sc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9029 |
| logD: | 0.2743 |
| logSw: | -3.5789 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.08 |
| InChI Key: | HPNOQHFMJBKUCF-UHFFFAOYSA-N |