N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide
N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide
Compound characteristics
| Compound ID: | C064-0371 |
| Compound Name: | N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-2,6-difluorobenzamide |
| Molecular Weight: | 544.42 |
| Molecular Formula: | C25 H20 Br F2 N3 O2 S |
| Smiles: | C(Cn1cc(c2ccccc12)SCC(Nc1ccc(cc1)[Br])=O)NC(c1c(cccc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.092 |
| logD: | 5.0918 |
| logSw: | -5.2464 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.353 |
| InChI Key: | WXPSMZJLZKMGHO-UHFFFAOYSA-N |