{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}piperidin-4-yl)methanone
Chemical Structure Depiction of
{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}piperidin-4-yl)methanone
{4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}piperidin-4-yl)methanone
Compound characteristics
| Compound ID: | S517-1540 |
| Compound Name: | {4-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-1-yl}(1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}piperidin-4-yl)methanone |
| Molecular Weight: | 552.72 |
| Molecular Formula: | C33 H40 N6 O2 |
| Smiles: | Cc1cccc(c1)c1nc(CN2CCC(CC2)C(N2CCC(CC2)Cc2nncn2Cc2ccccc2)=O)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.2902 |
| logD: | 3.1708 |
| logSw: | -4.345 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.802 |
| InChI Key: | LABMXBLCRXNEPC-UHFFFAOYSA-N |