2-(azepan-1-yl)-1-{3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-{3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}ethan-1-one
2-(azepan-1-yl)-1-{3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | S932-3092 |
| Compound Name: | 2-(azepan-1-yl)-1-{3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}ethan-1-one |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | C1CCCN(CC1)CC(N1CCC(C1)n1cc(COc2ccccc2)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9841 |
| logD: | 0.8663 |
| logSw: | -1.9771 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.723 |
| InChI Key: | UWFNVUAQTFUZNL-LJQANCHMSA-N |