1-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-2-phenoxyethan-1-one
1-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S517-0406 |
| Compound Name: | 1-(4-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)-2-phenoxyethan-1-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | C1CN(CCC1Cc1nncn1CC1CC1)C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0619 |
| logD: | 2.0616 |
| logSw: | -2.2089 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.443 |
| InChI Key: | MLMQEIKSTABBTL-UHFFFAOYSA-N |