3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclopentyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclopentyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclopentyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0452 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclopentyl-1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 542.55 |
| Molecular Formula: | C29 H26 N4 O7 |
| Smiles: | C1CCC(C1)NC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(N(Cc3cccc(c3)[N+]([O-])=O)c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8658 |
| logD: | 4.8658 |
| logSw: | -4.837 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.269 |
| InChI Key: | VOUNPRALVGCDIS-UHFFFAOYSA-N |