N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}-1,3,4-oxadiazole-2-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}-1,3,4-oxadiazole-2-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}-1,3,4-oxadiazole-2-carboxamide
Compound characteristics
| Compound ID: | C301-4919 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]phenyl}-1,3,4-oxadiazole-2-carboxamide |
| Molecular Weight: | 557.1 |
| Molecular Formula: | C31 H33 Cl N6 O2 |
| Smiles: | C1CN(Cc2ccc(cc2)c2nnc(C(NCCN3CCN(CC3)c3cccc(c3)[Cl])=O)o2)Cc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 4.2761 |
| logD: | 3.9955 |
| logSw: | -4.4497 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.646 |
| InChI Key: | HLBVPWUPMMHNQM-UHFFFAOYSA-N |