N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | C064-0485 |
| Compound Name: | N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 568.49 |
| Molecular Formula: | C27 H26 Br N3 O4 S |
| Smiles: | COc1ccc(cc1OC)C(NCCn1cc(c2ccccc12)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5487 |
| logD: | 4.5485 |
| logSw: | -4.1805 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.614 |
| InChI Key: | RLSPGACGQJEOBV-UHFFFAOYSA-N |