N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide
Chemical Structure Depiction of
N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide
N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide
Compound characteristics
| Compound ID: | C064-0029 |
| Compound Name: | N-[2-(3-{[2-(4-bromoanilino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-4-methoxybenzamide |
| Molecular Weight: | 538.46 |
| Molecular Formula: | C26 H24 Br N3 O3 S |
| Smiles: | COc1ccc(cc1)C(NCCn1cc(c2ccccc12)SCC(Nc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9068 |
| logD: | 4.9067 |
| logSw: | -4.5742 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.897 |
| InChI Key: | BBFDGWMTRBSTSN-UHFFFAOYSA-N |