2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-diethylacetamide
Chemical Structure Depiction of
2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-diethylacetamide
2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-diethylacetamide
Compound characteristics
| Compound ID: | E587-0008 |
| Compound Name: | 2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}-N,N-diethylacetamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C22 H25 N3 O2 S |
| Smiles: | CCN(CC)C(Cn1cc(c2ccccc12)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2228 |
| logD: | 3.2228 |
| logSw: | -3.2999 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.525 |
| InChI Key: | LJUDLYNPSXDGMG-UHFFFAOYSA-N |