3-(1,3-benzothiazol-2-yl)-1-(3-{[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-(3-{[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-1-yl)propan-1-one
3-(1,3-benzothiazol-2-yl)-1-(3-{[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S248-3069 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-(3-{[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl}pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C24 H24 N4 O3 S |
| Smiles: | COc1ccc(cc1)c1nc(CC2CCN(C2)C(CCc2nc3ccccc3s2)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5628 |
| logD: | 4.5628 |
| logSw: | -4.4106 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.815 |
| InChI Key: | LYGZHZGNRJRKPJ-INIZCTEOSA-N |