4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 1834-0012 |
| Compound Name: | 4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 343.22 |
| Molecular Formula: | C17 H15 Br N2 O |
| Smiles: | CC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4675 |
| logD: | 0.9572 |
| logSw: | -3.7556 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.978 |
| InChI Key: | ZWZQDTWAJBYOBK-MRXNPFEDSA-N |