5-[(4-bromobenzene-1-sulfinyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-bromobenzene-1-sulfinyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
5-[(4-bromobenzene-1-sulfinyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-2501 |
| Compound Name: | 5-[(4-bromobenzene-1-sulfinyl)methyl]-N-[2-(4-ethylpiperazin-1-yl)ethyl]furan-2-carboxamide |
| Molecular Weight: | 468.41 |
| Molecular Formula: | C20 H26 Br N3 O3 S |
| Smiles: | CCN1CCN(CCNC(c2ccc(CS(c3ccc(cc3)[Br])=O)o2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.4554 |
| logD: | 1.6629 |
| logSw: | -2.7053 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.994 |
| InChI Key: | ZBQPCRUAWIMQSP-UHFFFAOYSA-N |