N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-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-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0080 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 552.54 |
| Molecular Formula: | C30 H24 N4 O7 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc2C(N(C(N(CC(NCc3ccco3)=O)c2c1)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9629 |
| logD: | 2.9629 |
| logSw: | -3.5711 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.404 |
| InChI Key: | NLDWFNMQTVDVND-UHFFFAOYSA-N |