N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-ethoxybenzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-ethoxybenzamide
N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-ethoxybenzamide
Compound characteristics
| Compound ID: | C064-0314 |
| Compound Name: | N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-ethoxybenzamide |
| Molecular Weight: | 552.49 |
| Molecular Formula: | C27 H26 Br N3 O3 S |
| Smiles: | CCOc1ccc(cc1)C(NCCn1cc(c2ccccc12)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2934 |
| logD: | 5.2933 |
| logSw: | -5.2968 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.477 |
| InChI Key: | JAGSGHHRVSGLMT-UHFFFAOYSA-N |