N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-cyanophenyl)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-[(2-cyanophenyl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-cyanophenyl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0089 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-cyanophenyl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 530.54 |
| Molecular Formula: | C31 H22 N4 O5 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2C(N(C(N(Cc3ccccc3C#N)c2c1)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8939 |
| logD: | 3.8939 |
| logSw: | -4.1868 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.24 |
| InChI Key: | CUIQOYAZXZJTHN-UHFFFAOYSA-N |