3-(4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile
3-(4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | D676-1265 |
| Compound Name: | 3-(4-{[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl}piperazine-1-carbonyl)benzonitrile |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | Cc1ccc(cc1)c1nc(CN2CCN(CC2)C(c2cccc(C#N)c2)=O)no1 |
| Stereo: | ACHIRAL |
| logP: | 2.4453 |
| logD: | 2.4453 |
| logSw: | -2.7017 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 70.151 |
| InChI Key: | BUMPLYRCSHEQKH-UHFFFAOYSA-N |