N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | C064-0512 |
| Compound Name: | N-[2-(3-{[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 549.65 |
| Molecular Formula: | C29 H31 N3 O6 S |
| Smiles: | COc1ccc(c(c1)OC)NC(CSc1cn(CCNC(c2ccc(c(c2)OC)OC)=O)c2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.46 |
| logD: | 3.4598 |
| logSw: | -3.7963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.09 |
| InChI Key: | IRSAQQNOSBZUIG-UHFFFAOYSA-N |