2-(3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide
Chemical Structure Depiction of
2-(3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide
2-(3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide
Compound characteristics
| Compound ID: | E587-0019 |
| Compound Name: | 2-(3-{[2-(4-butylanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)-N,N-diethylacetamide |
| Molecular Weight: | 451.63 |
| Molecular Formula: | C26 H33 N3 O2 S |
| Smiles: | CCCCc1ccc(cc1)NC(CSc1cn(CC(N(CC)CC)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3837 |
| logD: | 5.3837 |
| logSw: | -5.4615 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.525 |
| InChI Key: | VOAOHBXFUWMTOU-UHFFFAOYSA-N |