N-cyclohexyl-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0932 |
| Compound Name: | N-cyclohexyl-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 516.6 |
| Molecular Formula: | C28 H32 N6 O4 |
| Smiles: | CC(C)N1C2=NN(CC(N(C)c3ccccc3)=O)C(N2c2cc(ccc2C1=O)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8516 |
| logD: | 2.8516 |
| logSw: | -3.6197 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.179 |
| InChI Key: | MKUPOXGSYQYNPG-UHFFFAOYSA-N |