N-[1-(2H-1,3-benzodioxol-5-yl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Chemical Structure Depiction of
N-[1-(2H-1,3-benzodioxol-5-yl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
N-[1-(2H-1,3-benzodioxol-5-yl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-2-chlorobenzamide
Compound characteristics
| Compound ID: | 8014-9492 |
| Compound Name: | N-[1-(2H-1,3-benzodioxol-5-yl)-3-{[2-(2-methyl-1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]-2-chlorobenzamide |
| Molecular Weight: | 501.97 |
| Molecular Formula: | C28 H24 Cl N3 O4 |
| Smiles: | Cc1c(CCNC(/C(=C/c2ccc3c(c2)OCO3)NC(c2ccccc2[Cl])=O)=O)c2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.7518 |
| logD: | 3.1232 |
| logSw: | -4.9006 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.459 |
| InChI Key: | YTJOOUMSAPIICF-UHFFFAOYSA-N |