N-[1-(1-ethyl-1H-indol-3-yl)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Chemical Structure Depiction of
N-[1-(1-ethyl-1H-indol-3-yl)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
N-[1-(1-ethyl-1H-indol-3-yl)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
Compound characteristics
Compound ID: | D009-0262 |
Compound Name: | N-[1-(1-ethyl-1H-indol-3-yl)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl]-2-fluorobenzamide |
Molecular Weight: | 459.52 |
Molecular Formula: | C26 H26 F N5 O2 |
Smiles: | CCn1cc(/C=C(/C(NCCCn2ccnc2)=O)NC(c2ccccc2F)=O)c2ccccc12 |
Stereo: | ACHIRAL |
logP: | 2.5928 |
logD: | 1.428 |
logSw: | -3.138 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.947 |
InChI Key: | QFDCXUBOMIZMIP-UHFFFAOYSA-N |