2-amino-1-(4-bromo-2-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-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-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-bromo-2-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8009-8574 |
| Compound Name: | 2-amino-1-(4-bromo-2-fluorophenyl)-4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 512.38 |
| Molecular Formula: | C25 H23 Br F N3 O3 |
| Smiles: | CC1(C)CC2=C(C(C(C#N)=C(N)N2c2ccc(cc2F)[Br])c2ccc(c(c2)O)OC)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9111 |
| logD: | 3.8911 |
| logSw: | -3.9936 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.254 |
| InChI Key: | WKVNXQWJESOJLP-QFIPXVFZSA-N |