2-chloro-N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
2-chloro-N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}benzamide
2-chloro-N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | D009-0048 |
| Compound Name: | 2-chloro-N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(2-hydroxyethyl)amino]-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 490.96 |
| Molecular Formula: | C22 H23 Cl N4 O5 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCCO)=O)NC(c2ccccc2[Cl])=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6577 |
| logD: | -0.7037 |
| logSw: | -2.8726 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.696 |
| InChI Key: | XFQUPRQFENRMRE-UHFFFAOYSA-N |