2-amino-4-{3-ethoxy-5-iodo-4-[(propan-2-yl)oxy]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{3-ethoxy-5-iodo-4-[(propan-2-yl)oxy]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2-amino-4-{3-ethoxy-5-iodo-4-[(propan-2-yl)oxy]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | Y510-4842 |
| Compound Name: | 2-amino-4-{3-ethoxy-5-iodo-4-[(propan-2-yl)oxy]phenyl}-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 521.4 |
| Molecular Formula: | C23 H28 I N3 O3 |
| Smiles: | CCOc1cc(cc(c1OC(C)C)I)C1C(C#N)=C(N)NC2CC(C)(C)CC(C1=2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0363 |
| logD: | 3.0606 |
| logSw: | -4.2006 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 76.837 |
| InChI Key: | NOSAXSFTZVSTCY-LJQANCHMSA-N |