N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-3,4-dimethoxybenzamide
N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | C064-0490 |
| Compound Name: | N-{2-[3-({2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}sulfanyl)-1H-indol-1-yl]ethyl}-3,4-dimethoxybenzamide |
| Molecular Weight: | 533.6 |
| Molecular Formula: | C28 H27 N3 O6 S |
| Smiles: | COc1ccc(cc1OC)C(NCCn1cc(c2ccccc12)SCC(Nc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5479 |
| logD: | 3.5478 |
| logSw: | -3.7404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.729 |
| InChI Key: | QIJGAQDZIDALBH-UHFFFAOYSA-N |