3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0415 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(2-chlorophenyl)methyl]-1-(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 601.02 |
| Molecular Formula: | C31 H25 Cl N4 O7 |
| Smiles: | C(c1ccccc1[Cl])NC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(N(CC(NCc3ccco3)=O)c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6425 |
| logD: | 4.6425 |
| logSw: | -4.9548 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.016 |
| InChI Key: | HJCVWZRLEVBEPV-UHFFFAOYSA-N |