N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl)-2-methoxybenzamide
Chemical Structure Depiction of
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl)-2-methoxybenzamide
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl)-2-methoxybenzamide
Compound characteristics
| Compound ID: | D009-0102 |
| Compound Name: | N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl)-2-methoxybenzamide |
| Molecular Weight: | 550.64 |
| Molecular Formula: | C27 H30 N6 O5 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCCCn2ccnc2)=O)NC(c2ccccc2OC)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4877 |
| logD: | -1.2158 |
| logSw: | -2.1552 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.2 |
| InChI Key: | MYGTZKVUJSDTJC-UHFFFAOYSA-N |