2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-4870 |
| Compound Name: | 2-amino-1-(4-fluorophenyl)-5-oxo-4-(2,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 449.48 |
| Molecular Formula: | C25 H24 F N3 O4 |
| Smiles: | COc1cc(c(cc1C1C(C#N)=C(N)N(C2CCCC(C1=2)=O)c1ccc(cc1)F)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7164 |
| logD: | 2.7164 |
| logSw: | -3.1213 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.268 |
| InChI Key: | ZMWGCHMZZOSQNP-QHCPKHFHSA-N |