[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}methanone
Chemical Structure Depiction of
[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}methanone
[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}methanone
Compound characteristics
| Compound ID: | S727-0116 |
| Compound Name: | [4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]{3-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]azetidin-1-yl}methanone |
| Molecular Weight: | 351.41 |
| Molecular Formula: | C19 H21 N5 O2 |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)C(N1CC(C1)n1cc(CO)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6743 |
| logD: | 0.6743 |
| logSw: | -1.1902 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.59 |
| InChI Key: | CAVALJHHXIRYFC-UHFFFAOYSA-N |