8-acetyl-3-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
Chemical Structure Depiction of
8-acetyl-3-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
8-acetyl-3-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one
Compound characteristics
| Compound ID: | E616-0800 |
| Compound Name: | 8-acetyl-3-methyl-4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-1-oxa-8-azaspiro[4.5]dec-3-en-2-one |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C22 H26 N4 O6 |
| Smiles: | CC1=C(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)C2(CCN(CC2)C(C)=O)OC1=O |
| Stereo: | ACHIRAL |
| logP: | 1.5214 |
| logD: | 1.5214 |
| logSw: | -1.9654 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.55 |
| InChI Key: | OFSVDAADXZTKFV-UHFFFAOYSA-N |