3-(5-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-(5-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
3-(5-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | L701-0141 |
| Compound Name: | 3-(5-{5-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 481.56 |
| Molecular Formula: | C27 H27 N7 O2 |
| Smiles: | Cc1ccc(C)n1c1ccc(cc1)c1nc(c2ccc3c(c2)nnn3CCC(N2CCCC2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.0893 |
| logD: | 4.0893 |
| logSw: | -4.1715 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 76.696 |
| InChI Key: | NPQLSMFZHLSOOM-UHFFFAOYSA-N |