(4-{2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-1-yl}phenyl)acetonitrile
Chemical Structure Depiction of
(4-{2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-1-yl}phenyl)acetonitrile
(4-{2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-1-yl}phenyl)acetonitrile
Compound characteristics
| Compound ID: | V007-7031 |
| Compound Name: | (4-{2-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]-5-(2,4-dimethylphenyl)-1H-pyrrol-1-yl}phenyl)acetonitrile |
| Molecular Weight: | 455.6 |
| Molecular Formula: | C29 H33 N3 O2 |
| Smiles: | CC1CN(CC(C)O1)C(CCc1ccc(c2ccc(C)cc2C)n1c1ccc(CC#N)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.594 |
| logD: | 4.594 |
| logSw: | -4.4017 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.941 |
| InChI Key: | OPPOFNHLQIQNAR-UHFFFAOYSA-N |