ethyl 1-{2-[3-(3,4-dimethylphenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[3-(3,4-dimethylphenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate
ethyl 1-{2-[3-(3,4-dimethylphenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V016-8086 |
| Compound Name: | ethyl 1-{2-[3-(3,4-dimethylphenyl)-5-(1-methyl-1H-pyrrol-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}piperidine-3-carboxylate |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C26 H34 N4 O3 |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)CC(N1C(CC(c2ccc(C)c(C)c2)=N1)c1cccn1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4492 |
| logD: | 4.4312 |
| logSw: | -4.121 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.695 |
| InChI Key: | VWJZYAOBBVCEGY-UHFFFAOYSA-N |