3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,3-dimethylcyclohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,3-dimethylcyclohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,3-dimethylcyclohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K221-3471 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,3-dimethylcyclohexyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C25 H27 N3 O5 |
| Smiles: | CC1CCCC(C1C)NC(c1ccc2C(N(Cc3ccc4c(c3)OCO4)C(Nc2c1)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9573 |
| logD: | 3.9567 |
| logSw: | -4.0757 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.124 |
| InChI Key: | QGZKSHXATWIYHW-UHFFFAOYSA-N |