N-(2-{3-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-(2-{3-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3-(trifluoromethyl)benzamide
N-(2-{3-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | C064-0264 |
| Compound Name: | N-(2-{3-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 585.65 |
| Molecular Formula: | C30 H30 F3 N3 O4 S |
| Smiles: | COc1ccc(CCNC(CSc2cn(CCNC(c3cccc(c3)C(F)(F)F)=O)c3ccccc23)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.8671 |
| logD: | 3.8671 |
| logSw: | -4.0359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.778 |
| InChI Key: | AQTXHKRAQXGLTE-UHFFFAOYSA-N |