3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)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-(2,4,6-trimethylanilino)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-(2,4,6-trimethylanilino)ethyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0404 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-2,4-dioxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 596.68 |
| Molecular Formula: | C34 H36 N4 O6 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CN1C(N(Cc2ccc3c(c2)OCO3)C(c2ccc(cc12)C(NC1CCCCC1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.378 |
| logD: | 5.378 |
| logSw: | -5.2651 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.275 |
| InChI Key: | MSJIQWXBXWGHNV-UHFFFAOYSA-N |