N-acetyl-7,7-dimethyl-1-(4-nitrophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-acetyl-7,7-dimethyl-1-(4-nitrophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
N-acetyl-7,7-dimethyl-1-(4-nitrophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C202-3248 |
| Compound Name: | N-acetyl-7,7-dimethyl-1-(4-nitrophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide |
| Molecular Weight: | 397.39 |
| Molecular Formula: | C20 H19 N3 O6 |
| Smiles: | CC(NC(C1=CC2=C(CC(C)(C)CC2=O)N(C1=O)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0325 |
| logD: | 0.1764 |
| logSw: | -2.345 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.402 |
| InChI Key: | SLJQRMZQZCZJDT-UHFFFAOYSA-N |