3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[2-(2,4-dimethylanilino)-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-cyclohexyl-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0406 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[2-(2,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 582.66 |
| Molecular Formula: | C33 H34 N4 O6 |
| Smiles: | Cc1ccc(c(C)c1)NC(CN1C(N(Cc2ccc3c(c2)OCO3)C(c2ccc(cc12)C(NC1CCCCC1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3474 |
| logD: | 5.3474 |
| logSw: | -5.1727 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.973 |
| InChI Key: | XBFHQNWYBMRODL-UHFFFAOYSA-N |