N-butyl-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-butyl-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
N-butyl-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | 4781-0057 |
| Compound Name: | N-butyl-1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 400.9 |
| Molecular Formula: | C22 H25 Cl N2 O3 |
| Smiles: | CCCCNC(C1=CC2=C(CC(C)(C)CC2=O)N(C1=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4901 |
| logD: | 3.4901 |
| logSw: | -3.8648 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.106 |
| InChI Key: | XZYWMMQNPMQLQD-UHFFFAOYSA-N |