5-[(3-methoxyphenyl)methoxy]-2-{[4-(4-octylbenzoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3-methoxyphenyl)methoxy]-2-{[4-(4-octylbenzoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-[(3-methoxyphenyl)methoxy]-2-{[4-(4-octylbenzoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V001-5204 |
| Compound Name: | 5-[(3-methoxyphenyl)methoxy]-2-{[4-(4-octylbenzoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 560.74 |
| Molecular Formula: | C34 H44 N2 O5 |
| Salt: | not_available |
| Smiles: | CCCCCCCCc1ccc(cc1)C(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7775 |
| logD: | 6.7742 |
| logSw: | -5.5873 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.214 |
| InChI Key: | VNNKYJMGSGGOLO-UHFFFAOYSA-N |