4-benzyl-5-{1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]pyrrolidin-2-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-5-{1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]pyrrolidin-2-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-5-{1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]pyrrolidin-2-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S622-0099 |
| Compound Name: | 4-benzyl-5-{1-[1-(4-methoxyphenyl)cyclopropane-1-carbonyl]pyrrolidin-2-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 432.52 |
| Molecular Formula: | C25 H28 N4 O3 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCCN2C(C2(CC2)c2ccc(cc2)OC)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5635 |
| logD: | 3.5633 |
| logSw: | -3.5524 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.6 |
| InChI Key: | UOEOBGULLDFKDA-NRFANRHFSA-N |