N-[2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
N-[2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
Compound characteristics
Compound ID: | C064-0468 |
Compound Name: | N-[2-(3-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide |
Molecular Weight: | 474.62 |
Molecular Formula: | C28 H30 N2 O3 S |
Smiles: | Cc1ccc(C)c(CSc2cn(CCNC(c3ccc(c(c3)OC)OC)=O)c3ccccc23)c1 |
Stereo: | ACHIRAL |
logP: | 5.5444 |
logD: | 5.5444 |
logSw: | -5.5171 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 41.465 |
InChI Key: | RSSBVQYJBBTYLY-UHFFFAOYSA-N |