4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 1883-0004 |
| Compound Name: | 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 418.28 |
| Molecular Formula: | C19 H19 I N2 O |
| Smiles: | CC1=C(C#N)C(C2=C(CC(C)(C)CC2=O)N1)c1ccccc1I |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0781 |
| logD: | 1.3401 |
| logSw: | -4.2532 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.978 |
| InChI Key: | IOBMMQZYKKDNIF-QGZVFWFLSA-N |