N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide
N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C064-0056 |
| Compound Name: | N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide |
| Molecular Weight: | 519.62 |
| Molecular Formula: | C28 H29 N3 O5 S |
| Smiles: | COc1ccc(cc1)C(NCCn1cc(c2ccccc12)SCC(Nc1ccc(cc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8181 |
| logD: | 3.818 |
| logSw: | -3.9714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.373 |
| InChI Key: | KCAASKWMDHNKAA-UHFFFAOYSA-N |