2-amino-1-(4-bromo-2-fluorophenyl)-4-{4-methoxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-bromo-2-fluorophenyl)-4-{4-methoxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-bromo-2-fluorophenyl)-4-{4-methoxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-6678 |
| Compound Name: | 2-amino-1-(4-bromo-2-fluorophenyl)-4-{4-methoxy-3-[(pyrrolidin-1-yl)methyl]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 579.51 |
| Molecular Formula: | C30 H32 Br F N4 O2 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2F)[Br])c2ccc(c(CN3CCCC3)c2)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7249 |
| logD: | 2.6128 |
| logSw: | -4.7734 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.805 |
| InChI Key: | KYMIMOFOQWQRAW-MHZLTWQESA-N |