1-[(2,4-dimethylphenyl)methyl]-3,3-dimethyl-4-(3-nitrobenzoyl)-3,4-dihydroquinoxalin-2(1H)-one
Chemical Structure Depiction of
1-[(2,4-dimethylphenyl)methyl]-3,3-dimethyl-4-(3-nitrobenzoyl)-3,4-dihydroquinoxalin-2(1H)-one
1-[(2,4-dimethylphenyl)methyl]-3,3-dimethyl-4-(3-nitrobenzoyl)-3,4-dihydroquinoxalin-2(1H)-one
Compound characteristics
| Compound ID: | 2951-0042 |
| Compound Name: | 1-[(2,4-dimethylphenyl)methyl]-3,3-dimethyl-4-(3-nitrobenzoyl)-3,4-dihydroquinoxalin-2(1H)-one |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C26 H25 N3 O4 |
| Smiles: | Cc1ccc(CN2C(C(C)(C)N(C(c3cccc(c3)[N+]([O-])=O)=O)c3ccccc23)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.0942 |
| logD: | 5.0942 |
| logSw: | -4.914 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.711 |
| InChI Key: | BXKNIUIMGYHQRX-UHFFFAOYSA-N |