2-[(4-ethenylphenyl)methyl]-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[(4-ethenylphenyl)methyl]-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[(4-ethenylphenyl)methyl]-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0351 |
| Compound Name: | 2-[(4-ethenylphenyl)methyl]-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C27 H31 N5 O3 |
| Smiles: | CC(C)CCN1C2=NN(Cc3ccc(C=C)cc3)C(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3709 |
| logD: | 4.3709 |
| logSw: | -4.1505 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.844 |
| InChI Key: | KJOVNVLZNOYRNF-UHFFFAOYSA-N |