4-benzyl-2-methyl-5-[1-(3-phenylpropanoyl)pyrrolidin-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-benzyl-2-methyl-5-[1-(3-phenylpropanoyl)pyrrolidin-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-benzyl-2-methyl-5-[1-(3-phenylpropanoyl)pyrrolidin-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S622-0098 |
| Compound Name: | 4-benzyl-2-methyl-5-[1-(3-phenylpropanoyl)pyrrolidin-2-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C23 H26 N4 O2 |
| Smiles: | CN1C(N(Cc2ccccc2)C(C2CCCN2C(CCc2ccccc2)=O)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7284 |
| logD: | 3.7283 |
| logSw: | -3.9232 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.277 |
| InChI Key: | POTZKPDONFCLIN-FQEVSTJZSA-N |