N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide
Compound characteristics
| Compound ID: | C260-1316 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl}butanamide |
| Molecular Weight: | 546.58 |
| Molecular Formula: | C29 H30 N4 O7 |
| Smiles: | COc1ccc(CCNC(CCCN2C(c3ccccc3N(Cc3ccc(cc3)[N+]([O-])=O)C2=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.476 |
| logD: | 2.476 |
| logSw: | -3.1289 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.201 |
| InChI Key: | NLIBBUUNUYDFMA-UHFFFAOYSA-N |