2-{2-[methyl(phenyl)amino]-2-oxoethyl}-N-(2-methylpropyl)-1,5-dioxo-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-{2-[methyl(phenyl)amino]-2-oxoethyl}-N-(2-methylpropyl)-1,5-dioxo-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-{2-[methyl(phenyl)amino]-2-oxoethyl}-N-(2-methylpropyl)-1,5-dioxo-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-1022 |
| Compound Name: | 2-{2-[methyl(phenyl)amino]-2-oxoethyl}-N-(2-methylpropyl)-1,5-dioxo-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 488.55 |
| Molecular Formula: | C26 H28 N6 O4 |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC=C)C3=NN(CC(N(C)c4ccccc4)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8898 |
| logD: | 1.8898 |
| logSw: | -2.9985 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.983 |
| InChI Key: | SUBFLWBDWBEVJJ-UHFFFAOYSA-N |