3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-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-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | L701-0138 |
| Compound Name: | 3-(5-{5-[(4-chloro-2-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl}-1H-benzotriazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 466.93 |
| Molecular Formula: | C23 H23 Cl N6 O3 |
| Smiles: | Cc1cc(ccc1OCc1nc(c2ccc3c(c2)nnn3CCC(N2CCCC2)=O)no1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5596 |
| logD: | 4.5596 |
| logSw: | -4.6738 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 81.059 |
| InChI Key: | QKACSLRZLPXTLW-UHFFFAOYSA-N |