2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide
Chemical Structure Depiction of
2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide
2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide
Compound characteristics
| Compound ID: | E587-0025 |
| Compound Name: | 2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide |
| Molecular Weight: | 474.42 |
| Molecular Formula: | C22 H24 Br N3 O2 S |
| Smiles: | CCN(CC)C(Cn1cc(c2ccccc12)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2484 |
| logD: | 4.2483 |
| logSw: | -3.9216 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.525 |
| InChI Key: | RFQFJQCFHAXZLM-UHFFFAOYSA-N |