2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-N-(propan-2-yl)-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}-1,5-dioxo-N-(propan-2-yl)-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}-1,5-dioxo-N-(propan-2-yl)-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: | F470-0988 |
| Compound Name: | 2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-N-(propan-2-yl)-4-(prop-2-en-1-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 474.52 |
| Molecular Formula: | C25 H26 N6 O4 |
| Smiles: | CC(C)NC(c1ccc2C(N(CC=C)C3=NN(CC(N(C)c4ccccc4)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4585 |
| logD: | 1.4585 |
| logSw: | -2.5944 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.958 |
| InChI Key: | NENAPNZHIZJUMA-UHFFFAOYSA-N |