8-[(5-methylfuran-2-yl)methyl]-1,4,8-oxadiazecan-5-one
Chemical Structure Depiction of
8-[(5-methylfuran-2-yl)methyl]-1,4,8-oxadiazecan-5-one
8-[(5-methylfuran-2-yl)methyl]-1,4,8-oxadiazecan-5-one
Compound characteristics
| Compound ID: | S766-0155 |
| Compound Name: | 8-[(5-methylfuran-2-yl)methyl]-1,4,8-oxadiazecan-5-one |
| Molecular Weight: | 252.31 |
| Molecular Formula: | C13 H20 N2 O3 |
| Smiles: | Cc1ccc(CN2CCC(NCCOCC2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 0.4171 |
| logD: | 0.1165 |
| logSw: | -1.8725 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.497 |
| InChI Key: | BXNHQYVIXFBWKG-UHFFFAOYSA-N |