1-[2-(3-amino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
1-[2-(3-amino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
1-[2-(3-amino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0085 |
| Compound Name: | 1-[2-(3-amino-5-methyl-1H-pyrazol-1-yl)-2-oxoethyl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 552.55 |
| Molecular Formula: | C29 H24 N6 O6 |
| Smiles: | Cc1cc(N)nn1C(CN1C(N(C(c2ccc(cc12)C(NCc1ccc2c(c1)OCO2)=O)=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.591 |
| logD: | 1.591 |
| logSw: | -2.6695 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 119.825 |
| InChI Key: | YNYUEWUOUJYQBT-UHFFFAOYSA-N |