N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}benzamide
N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
Compound ID: | D009-0004 |
Compound Name: | N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}benzamide |
Molecular Weight: | 470.55 |
Molecular Formula: | C23 H26 N4 O5 S |
Smiles: | CN(C)S(n1cc(/C=C(/C(NCCCO)=O)NC(c2ccccc2)=O)c2ccccc12)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.0819 |
logD: | -0.3544 |
logSw: | -2.1352 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 96.696 |
InChI Key: | BLSZITWNWAUOIX-UHFFFAOYSA-N |