3-{5-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-{5-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
3-{5-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | L701-0070 |
| Compound Name: | 3-{5-[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C23 H24 N6 O2 |
| Smiles: | Cc1cc(C)cc(c1)c1nc(c2ccc3c(c2)nnn3CCC(N2CCCC2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.9081 |
| logD: | 3.9081 |
| logSw: | -3.9378 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.807 |
| InChI Key: | VMETVPVCCYGBGR-UHFFFAOYSA-N |