4-benzyl-2-(cyanomethyl)-N-cyclohexyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-benzyl-2-(cyanomethyl)-N-cyclohexyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-benzyl-2-(cyanomethyl)-N-cyclohexyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0554 |
| Compound Name: | 4-benzyl-2-(cyanomethyl)-N-cyclohexyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C25 H24 N6 O3 |
| Smiles: | C1CCC(CC1)NC(c1ccc2C(N(Cc3ccccc3)C3=NN(CC#N)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9988 |
| logD: | 2.9988 |
| logSw: | -3.6398 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.816 |
| InChI Key: | BLHGJZOPPHSMSB-UHFFFAOYSA-N |