{5-[(4-bromobenzene-1-sulfonyl)methyl]furan-2-yl}(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
Chemical Structure Depiction of
{5-[(4-bromobenzene-1-sulfonyl)methyl]furan-2-yl}(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
{5-[(4-bromobenzene-1-sulfonyl)methyl]furan-2-yl}(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
Compound characteristics
| Compound ID: | C521-0305 |
| Compound Name: | {5-[(4-bromobenzene-1-sulfonyl)methyl]furan-2-yl}(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone |
| Molecular Weight: | 470.34 |
| Molecular Formula: | C19 H20 Br N O6 S |
| Smiles: | C1CN(CCC12OCCO2)C(c1ccc(CS(c2ccc(cc2)[Br])(=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5507 |
| logD: | 2.5507 |
| logSw: | -2.5347 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.93 |
| InChI Key: | XPFBLBCOLVAGKS-UHFFFAOYSA-N |