N-cyclohexyl-2-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-4-methyl-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-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-2-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0794 |
| Compound Name: | N-cyclohexyl-2-(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 506.54 |
| Molecular Formula: | C26 H27 F N6 O4 |
| Smiles: | CN1C2=NN(CC(NCc3ccc(cc3)F)=O)C(N2c2cc(ccc2C1=O)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.247 |
| logD: | 2.247 |
| logSw: | -3.0396 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.583 |
| InChI Key: | MAYXBKJJOKWYNL-UHFFFAOYSA-N |