5-{1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperidin-3-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
5-{1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperidin-3-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-{1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperidin-3-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | P940-4479 |
| Compound Name: | 5-{1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]piperidin-3-yl}-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | CC(C)N1C(C2CCCN(C2)C(C2(CC2)c2ccc(cc2)OC)=O)=NN(C)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9867 |
| logD: | 2.9843 |
| logSw: | -3.0681 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.466 |
| InChI Key: | FHXYYEYFAQFZRW-INIZCTEOSA-N |