N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Chemical Structure Depiction of
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
| Compound ID: | C798-1075 |
| Compound Name: | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | COc1ccc2c(c1)c(CCNC(CN1C(c3cccnc3Sc3ccccc13)=O)=O)c[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 3.4082 |
| logD: | 3.4082 |
| logSw: | -3.8752 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.181 |
| InChI Key: | WKEGHPGVHARECJ-UHFFFAOYSA-N |