N-cyclohexyl-2-[(4-ethenylphenyl)methyl]-4-(3-methylbutyl)-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-[(4-ethenylphenyl)methyl]-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-2-[(4-ethenylphenyl)methyl]-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0439 |
| Compound Name: | N-cyclohexyl-2-[(4-ethenylphenyl)methyl]-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 513.64 |
| Molecular Formula: | C30 H35 N5 O3 |
| Smiles: | CC(C)CCN1C2=NN(Cc3ccc(C=C)cc3)C(N2c2cc(ccc2C1=O)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5496 |
| logD: | 5.5496 |
| logSw: | -5.2907 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.324 |
| InChI Key: | IIIMQILHRMVCTR-UHFFFAOYSA-N |