N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide
Chemical Structure Depiction of
N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide
N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide
Compound characteristics
| Compound ID: | D009-0090 |
| Compound Name: | N-{3-(azepan-1-yl)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxoprop-1-en-2-yl}-4-methylbenzamide |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Smiles: | Cc1ccc(cc1)C(NC(=C/c1cn(c2ccccc12)S(N(C)C)(=O)=O)\C(N1CCCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0126 |
| logD: | 1.9706 |
| logSw: | -3.9027 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.494 |
| InChI Key: | JSQSMMCPXMETOO-UHFFFAOYSA-N |