4-benzyl-N-cyclopentyl-2-[(4-ethenylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-benzyl-N-cyclopentyl-2-[(4-ethenylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-benzyl-N-cyclopentyl-2-[(4-ethenylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0550 |
| Compound Name: | 4-benzyl-N-cyclopentyl-2-[(4-ethenylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 519.6 |
| Molecular Formula: | C31 H29 N5 O3 |
| Smiles: | C=Cc1ccc(CN2C(N3C(=N2)N(Cc2ccccc2)C(c2ccc(cc23)C(NC2CCCC2)=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1176 |
| logD: | 5.1176 |
| logSw: | -5.3117 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.44 |
| InChI Key: | MFJKTVWLLICTFZ-UHFFFAOYSA-N |