(isoquinolin-1-yl){3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}methanone
Chemical Structure Depiction of
(isoquinolin-1-yl){3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}methanone
(isoquinolin-1-yl){3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}methanone
Compound characteristics
| Compound ID: | S932-3368 |
| Compound Name: | (isoquinolin-1-yl){3-[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]pyrrolidin-1-yl}methanone |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C23 H21 N5 O2 |
| Smiles: | C1CN(CC1n1cc(COc2ccccc2)nn1)C(c1c2ccccc2ccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6694 |
| logD: | 2.6694 |
| logSw: | -2.7756 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.462 |
| InChI Key: | XYQYLJRQGPXTKM-LJQANCHMSA-N |