1-(3-chloro-2-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Chemical Structure Depiction of
1-(3-chloro-2-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
1-(3-chloro-2-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
Compound characteristics
| Compound ID: | F454-0026 |
| Compound Name: | 1-(3-chloro-2-methylphenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile |
| Molecular Weight: | 312.75 |
| Molecular Formula: | C17 H13 Cl N2 O2 |
| Smiles: | Cc1c(cccc1[Cl])N1C2CCCC(C=2C=C(C#N)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7508 |
| logD: | 2.7508 |
| logSw: | -3.4106 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.335 |
| InChI Key: | GIXDTGUXLGWYLD-UHFFFAOYSA-N |