4-benzyl-5-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S622-0020 |
| Compound Name: | 4-benzyl-5-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C21 H28 N4 O2 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCCN2C(C2CCCCC2)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5998 |
| logD: | 3.5993 |
| logSw: | -3.573 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.997 |
| InChI Key: | OHGRJOUYZDYQGE-SFHVURJKSA-N |