N-cyclohexyl-2-methyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-2-methyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-2-methyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0660 |
| Compound Name: | N-cyclohexyl-2-methyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | Cc1ccc(CN2C3=NN(C)C(N3c3cc(ccc3C2=O)C(NC2CCCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8267 |
| logD: | 3.8267 |
| logSw: | -3.9635 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.025 |
| InChI Key: | BPZCXYHUVUWVDA-UHFFFAOYSA-N |