N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-2-fluorobenzamide
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-fluorobenzamide
N-(1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | D009-0031 |
| 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-fluorobenzamide |
| Molecular Weight: | 573.65 |
| Molecular Formula: | C30 H28 F N5 O4 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCCc2c[nH]c3ccccc23)=O)NC(c2ccccc2F)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6828 |
| logD: | 1.3419 |
| logSw: | -3.9087 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.64 |
| InChI Key: | GABRVFNSEFQQPR-UHFFFAOYSA-N |