2-chloro-N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Chemical Structure Depiction of
2-chloro-N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}benzamide
2-chloro-N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}benzamide
Compound characteristics
| Compound ID: | D009-0049 |
| Compound Name: | 2-chloro-N-{1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-[(3-hydroxypropyl)amino]-3-oxoprop-1-en-2-yl}benzamide |
| Molecular Weight: | 504.99 |
| Molecular Formula: | C23 H25 Cl N4 O5 S |
| Smiles: | CN(C)S(n1cc(/C=C(/C(NCCCO)=O)NC(c2ccccc2[Cl])=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6421 |
| logD: | -0.7193 |
| logSw: | -2.8586 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 96.696 |
| InChI Key: | YQHNSPHKYRTMIU-UHFFFAOYSA-N |