1-(4-chlorophenyl)-N-(3-cyanophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
1-(4-chlorophenyl)-N-(3-cyanophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
1-(4-chlorophenyl)-N-(3-cyanophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 8015-8003 |
| Compound Name: | 1-(4-chlorophenyl)-N-(3-cyanophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C25 H20 Cl N3 O3 |
| Smiles: | CC1(C)CC2=C(C=C(C(Nc3cccc(C#N)c3)=O)C(N2c2ccc(cc2)[Cl])=O)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9693 |
| logD: | 3.696 |
| logSw: | -4.4334 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.727 |
| InChI Key: | NDRAOHMZGSTHIP-UHFFFAOYSA-N |