2-phenyl-1-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-phenyl-1-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
2-phenyl-1-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | P936-2893 |
| Compound Name: | 2-phenyl-1-(3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}pyrrolidin-1-yl)ethan-1-one |
| Molecular Weight: | 312.41 |
| Molecular Formula: | C18 H24 N4 O |
| Smiles: | CC(C)n1cnnc1CC1CCN(C1)C(Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2523 |
| logD: | 2.2508 |
| logSw: | -2.3453 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.782 |
| InChI Key: | SXMQHWGHYWEIJE-INIZCTEOSA-N |