5-[(4-bromobenzene-1-sulfinyl)methyl]-N-[3-(4-ethylpiperazin-1-yl)propyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-bromobenzene-1-sulfinyl)methyl]-N-[3-(4-ethylpiperazin-1-yl)propyl]furan-2-carboxamide
5-[(4-bromobenzene-1-sulfinyl)methyl]-N-[3-(4-ethylpiperazin-1-yl)propyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | E535-2499 |
| Compound Name: | 5-[(4-bromobenzene-1-sulfinyl)methyl]-N-[3-(4-ethylpiperazin-1-yl)propyl]furan-2-carboxamide |
| Molecular Weight: | 482.44 |
| Molecular Formula: | C21 H28 Br N3 O3 S |
| Smiles: | CCN1CCN(CCCNC(c2ccc(CS(c3ccc(cc3)[Br])=O)o2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.5786 |
| logD: | 1.6304 |
| logSw: | -2.8181 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.994 |
| InChI Key: | ISQQWULKXNDAOM-UHFFFAOYSA-N |