4-{[2-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy]methyl}benzonitrile
Chemical Structure Depiction of
4-{[2-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy]methyl}benzonitrile
4-{[2-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy]methyl}benzonitrile
Compound characteristics
| Compound ID: | V013-8064 |
| Compound Name: | 4-{[2-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazin-1-yl}-1-(3-methoxyphenyl)ethoxy]methyl}benzonitrile |
| Molecular Weight: | 605.52 |
| Molecular Formula: | C32 H30 Cl2 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1c(C(N2CCN(CC2)CC(c2cccc(c2)OC)OCc2ccc(C#N)cc2)=O)c(c2c(cccc2[Cl])[Cl])no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8956 |
| logD: | 4.8941 |
| logSw: | -5.2062 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.868 |
| InChI Key: | AQRDEWUIQNOOQO-NDEPHWFRSA-N |