1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | P936-3340 |
| Compound Name: | 1-{3-[(4-benzyl-4H-1,2,4-triazol-3-yl)methyl]pyrrolidin-1-yl}-2-(3-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C23 H26 N4 O2 |
| Smiles: | COc1cccc(CC(N2CCC(Cc3nncn3Cc3ccccc3)C2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9827 |
| logD: | 2.9826 |
| logSw: | -3.3038 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.263 |
| InChI Key: | KZADSQAAMITSDK-FQEVSTJZSA-N |