1-(2-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrrolidin-1-yl)-2-(3,4-dimethylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-(2-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrrolidin-1-yl)-2-(3,4-dimethylphenoxy)ethan-1-one
1-(2-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrrolidin-1-yl)-2-(3,4-dimethylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | SD73-0398 |
| Compound Name: | 1-(2-{2-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]ethyl}pyrrolidin-1-yl)-2-(3,4-dimethylphenoxy)ethan-1-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | Cc1ccc(cc1C)OCC(N1CCCC1CCc1nncn1CC1CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1161 |
| logD: | 3.1161 |
| logSw: | -3.0134 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.455 |
| InChI Key: | LTPWMGUPSKGUTB-LJQANCHMSA-N |