3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[2-(4-methoxyanilino)-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-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0388 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 584.63 |
| Molecular Formula: | C32 H32 N4 O7 |
| Smiles: | COc1ccc(cc1)NC(CN1C(N(Cc2ccc3c(c2)OCO3)C(c2ccc(cc12)C(NC1CCCCC1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8472 |
| logD: | 4.8472 |
| logSw: | -4.5539 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.214 |
| InChI Key: | QLZCRYPMZIRGPM-UHFFFAOYSA-N |