N-(butan-2-yl)-4-(3-methylbutyl)-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-(3-methylbutyl)-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-4-(3-methylbutyl)-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0445 |
| Compound Name: | N-(butan-2-yl)-4-(3-methylbutyl)-2-{2-[methyl(phenyl)amino]-2-oxoethyl}-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 518.62 |
| Molecular Formula: | C28 H34 N6 O4 |
| Smiles: | CCC(C)NC(c1ccc2C(N(CCC(C)C)C3=NN(CC(N(C)c4ccccc4)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.677 |
| logD: | 2.677 |
| logSw: | -3.3979 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.425 |
| InChI Key: | ZJKPZKDHIDHFGD-IBGZPJMESA-N |