N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-2-methoxybenzamide
Chemical Structure Depiction of
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-2-methoxybenzamide
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-2-methoxybenzamide
Compound characteristics
| Compound ID: | D009-0099 |
| Compound Name: | N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-2-methoxybenzamide |
| Molecular Weight: | 585.68 |
| Molecular Formula: | C31 H31 N5 O5 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCCc2c[nH]c3ccccc23)=O)NC(c2ccccc2OC)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5249 |
| logD: | 0.842 |
| logSw: | -3.6971 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 97.271 |
| InChI Key: | QPJSLMKKOXOXKQ-UHFFFAOYSA-N |