3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | C487-0401 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(4-tert-butylphenyl)methyl]-N-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide |
| Molecular Weight: | 567.69 |
| Molecular Formula: | C34 H37 N3 O5 |
| Smiles: | CC(C)(C)c1ccc(CN2C(N(Cc3ccc4c(c3)OCO4)C(c3ccc(cc23)C(NC2CCCCC2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.2534 |
| logD: | 7.2534 |
| logSw: | -5.5161 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.521 |
| InChI Key: | KFHJBUQWHFWMOZ-UHFFFAOYSA-N |