N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}-1,3,4-oxadiazole-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}-1,3,4-oxadiazole-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}-1,3,4-oxadiazole-2-carboxamide
Compound characteristics
| Compound ID: | C301-4917 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}-1,3,4-oxadiazole-2-carboxamide |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C27 H24 N4 O4 |
| Smiles: | C1CN(Cc2ccc(cc2)c2nnc(C(NCc3ccc4c(c3)OCO4)=O)o2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.8028 |
| logD: | 3.5222 |
| logSw: | -4.0937 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.677 |
| InChI Key: | BNPJNHSNQHBGPB-UHFFFAOYSA-N |