3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-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-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0385 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-cyclohexyl-1-{2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 558.59 |
| Molecular Formula: | C29 H30 N6 O6 |
| Smiles: | Cc1cc(NC(CN2C(N(Cc3ccc4c(c3)OCO4)C(c3ccc(cc23)C(NC2CCCCC2)=O)=O)=O)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.8372 |
| logD: | 3.8344 |
| logSw: | -4.0242 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.805 |
| InChI Key: | FPOILMVXLOILIS-UHFFFAOYSA-N |