N-(2-{3-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(2-{3-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide
N-(2-{3-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | C064-0150 |
| Compound Name: | N-(2-{3-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-4-fluorobenzamide |
| Molecular Weight: | 535.64 |
| Molecular Formula: | C29 H30 F N3 O4 S |
| Smiles: | COc1ccc(CCNC(CSc2cn(CCNC(c3ccc(cc3)F)=O)c3ccccc23)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0927 |
| logD: | 3.0927 |
| logSw: | -3.3042 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.778 |
| InChI Key: | BDHVIFRCBLWGOS-UHFFFAOYSA-N |