N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-fluorobenzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-fluorobenzamide
N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-fluorobenzamide
Compound characteristics
| Compound ID: | C064-0170 |
| Compound Name: | N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-fluorobenzamide |
| Molecular Weight: | 507.58 |
| Molecular Formula: | C27 H26 F N3 O4 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSc1cn(CCNC(c2ccc(cc2)F)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8648 |
| logD: | 3.8647 |
| logSw: | -3.9475 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.829 |
| InChI Key: | KNOASVAQCKFQHG-UHFFFAOYSA-N |