5-[1-(3,4-dimethoxybenzoyl)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-(3,4-dimethoxybenzoyl)piperidin-3-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
5-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | P940-4495 |
| Compound Name: | 5-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-2-methyl-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C20 H28 N4 O4 |
| Smiles: | CC(C)N1C(C2CCCN(C2)C(c2ccc(c(c2)OC)OC)=O)=NN(C)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9463 |
| logD: | 1.944 |
| logSw: | -2.2867 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.931 |
| InChI Key: | ADAHBOVPBOPJFD-HNNXBMFYSA-N |