4-acetyl-1-hexyl-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Chemical Structure Depiction of
4-acetyl-1-hexyl-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
4-acetyl-1-hexyl-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one
Compound characteristics
| Compound ID: | 3042-4806 |
| Compound Name: | 4-acetyl-1-hexyl-3-hydroxy-5-(3-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C18 H22 N2 O5 |
| Smiles: | CCCCCCN1C(C(=C(C1=O)O)C(C)=O)c1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.266 |
| logD: | 3.2642 |
| logSw: | -3.0642 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.818 |
| InChI Key: | KBDYMVJKPZEWRG-MRXNPFEDSA-N |