N-[2-(5-chloro-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-chloro-1H-indol-3-yl)ethyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide
Compound characteristics
Compound ID: | C798-1074 |
Compound Name: | N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6(5H)-yl)acetamide |
Molecular Weight: | 462.96 |
Molecular Formula: | C24 H19 Cl N4 O2 S |
Smiles: | C(CNC(CN1C(c2cccnc2Sc2ccccc12)=O)=O)c1c[nH]c2ccc(cc12)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.0602 |
logD: | 4.0602 |
logSw: | -4.4481 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.637 |
InChI Key: | AFRMACFXVNAOJD-UHFFFAOYSA-N |