2-(2-anilino-2-oxoethyl)-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-(2-anilino-2-oxoethyl)-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-(2-anilino-2-oxoethyl)-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
Compound ID: | F470-0410 |
Compound Name: | 2-(2-anilino-2-oxoethyl)-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
Molecular Weight: | 490.56 |
Molecular Formula: | C26 H30 N6 O4 |
Smiles: | CC(C)CCN1C2=NN(CC(Nc3ccccc3)=O)C(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.163 |
logD: | 3.163 |
logSw: | -3.6718 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 94.994 |
InChI Key: | JJLBIRQEFOIXTB-UHFFFAOYSA-N |