N-[2-(3-{[(4-bromophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[2-(3-{[(4-bromophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
N-[2-(3-{[(4-bromophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide
Compound characteristics
| Compound ID: | C064-0457 |
| Compound Name: | N-[2-(3-{[(4-bromophenyl)methyl]sulfanyl}-1H-indol-1-yl)ethyl]-3,4-dimethoxybenzamide |
| Molecular Weight: | 525.46 |
| Molecular Formula: | C26 H25 Br N2 O3 S |
| Smiles: | COc1ccc(cc1OC)C(NCCn1cc(c2ccccc12)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8732 |
| logD: | 4.8732 |
| logSw: | -4.7063 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.465 |
| InChI Key: | ATCINMWBWUWPHP-UHFFFAOYSA-N |