2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-1-(azepan-1-yl)ethan-1-one
Chemical Structure Depiction of
2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-1-(azepan-1-yl)ethan-1-one
2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-1-(azepan-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | K906-2822 |
| Compound Name: | 2-[3-acetyl-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-1-yl]-1-(azepan-1-yl)ethan-1-one |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C21 H25 F N2 O2 |
| Smiles: | CC(c1cc(c2ccc(cc2)F)n(CC(N2CCCCCC2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.774 |
| logD: | 3.7739 |
| logSw: | -3.8786 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.468 |
| InChI Key: | XPUUKEJJYIFARG-UHFFFAOYSA-N |