4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | 8015-9567 |
| Compound Name: | 4-(4-chloro-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 343.77 |
| Molecular Formula: | C17 H14 Cl N3 O3 |
| Smiles: | CC1=C(C#N)C(C2=C(CCCC2=O)N1)c1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.894 |
| logD: | 0.3836 |
| logSw: | -3.7604 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.058 |
| InChI Key: | PTNJUAAWGHURAQ-MRXNPFEDSA-N |