4-benzyl-5-[1-(cyclohexylacetyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-[1-(cyclohexylacetyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-[1-(cyclohexylacetyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S622-0086 |
| Compound Name: | 4-benzyl-5-[1-(cyclohexylacetyl)pyrrolidin-2-yl]-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCCN2C(CC2CCCCC2)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1095 |
| logD: | 4.1093 |
| logSw: | -4.1528 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.47 |
| InChI Key: | OBMVJZBKCULURE-IBGZPJMESA-N |