N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-ethoxybenzamide
Chemical Structure Depiction of
N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-ethoxybenzamide
N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-ethoxybenzamide
Compound characteristics
| Compound ID: | C064-0319 |
| Compound Name: | N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-4-ethoxybenzamide |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C28 H27 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)C(NCCn1cc(c2ccccc12)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2926 |
| logD: | 4.2926 |
| logSw: | -4.0025 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.592 |
| InChI Key: | OWSQWRUAQJLJAU-UHFFFAOYSA-N |