N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide
N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | C064-0478 |
| Compound Name: | N-(2-{3-[(2-anilino-2-oxoethyl)sulfanyl]-1H-indol-1-yl}ethyl)-3,4-dimethoxybenzamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C(NCCn1cc(c2ccccc12)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.523 |
| logD: | 3.523 |
| logSw: | -3.7899 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.614 |
| InChI Key: | ODUDUCXOZKXYMZ-UHFFFAOYSA-N |