N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0074 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-nitrophenyl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 550.53 |
| Molecular Formula: | C30 H22 N4 O7 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2C(N(C(N(Cc3cccc(c3)[N+]([O-])=O)c2c1)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0908 |
| logD: | 4.0908 |
| logSw: | -4.3772 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.566 |
| InChI Key: | PREZWOCQNDHNLI-UHFFFAOYSA-N |