3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2,4-dioxo-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2,4-dioxo-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2,4-dioxo-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0391 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2,4-dioxo-1-{2-oxo-2-[4-(propan-2-yl)anilino]ethyl}-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 596.68 |
| Molecular Formula: | C34 H36 N4 O6 |
| Smiles: | CC(C)c1ccc(cc1)NC(CN1C(N(Cc2ccc3c(c2)OCO3)C(c2ccc(cc12)C(NC1CCCCC1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.203 |
| logD: | 6.203 |
| logSw: | -5.3711 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.67 |
| InChI Key: | CIDDDCZXVKVJGU-UHFFFAOYSA-N |