5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-octylbenzoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-octylbenzoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-octylbenzoyl)piperazin-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3778 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(4-octylbenzoyl)piperazin-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 572.79 |
| Molecular Formula: | C36 H48 N2 O4 |
| Salt: | not_available |
| Smiles: | CCCCCCCCc1ccc(cc1)C(N1CCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.1926 |
| logD: | 8.1923 |
| logSw: | -5.6474 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.339 |
| InChI Key: | NLTRCCNRSCRYHT-UHFFFAOYSA-N |