2-(cyanomethyl)-N-cyclohexyl-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
2-(cyanomethyl)-N-cyclohexyl-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-(cyanomethyl)-N-cyclohexyl-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: | F471-0418 |
| Compound Name: | 2-(cyanomethyl)-N-cyclohexyl-4-(3-methylbutyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 436.51 |
| Molecular Formula: | C23 H28 N6 O3 |
| Smiles: | CC(C)CCN1C2=NN(CC#N)C(N2c2cc(ccc2C1=O)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9754 |
| logD: | 2.9754 |
| logSw: | -3.5414 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.066 |
| InChI Key: | UXZJCXMRTIEMHC-UHFFFAOYSA-N |