5-(1-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperidin-4-yl)-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-(1-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperidin-4-yl)-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-(1-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperidin-4-yl)-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-1325 |
| Compound Name: | 5-(1-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}piperidin-4-yl)-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 426.52 |
| Molecular Formula: | C22 H30 N6 O3 |
| Smiles: | CC(C)N1C(C2CCN(CC2)C(c2ccc(Cn3c(C)cc(C)n3)o2)=O)=NN(C)C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.0857 |
| logD: | 2.0795 |
| logSw: | -2.5101 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.314 |
| InChI Key: | BTMKCTOZIQZIPJ-UHFFFAOYSA-N |