1-[3-acetyl-5-(6-methoxynaphthalen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl acetate
Chemical Structure Depiction of
1-[3-acetyl-5-(6-methoxynaphthalen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl acetate
1-[3-acetyl-5-(6-methoxynaphthalen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl acetate
Compound characteristics
| Compound ID: | G642-2141 |
| Compound Name: | 1-[3-acetyl-5-(6-methoxynaphthalen-2-yl)-2,3-dihydro-1,3,4-oxadiazol-2-yl]-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl acetate |
| Molecular Weight: | 543.53 |
| Molecular Formula: | C29 H25 N3 O8 |
| Smiles: | CC(N1C(c2c(c(cc3c2c2CCCCc2o3)[N+]([O-])=O)OC(C)=O)OC(c2ccc3cc(ccc3c2)OC)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3687 |
| logD: | 5.3687 |
| logSw: | -5.8821 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 104.644 |
| InChI Key: | PMWZYUXQHHTVNC-LJAQVGFWSA-N |