2-benzyl-N-(butan-2-yl)-4-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-benzyl-N-(butan-2-yl)-4-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-benzyl-N-(butan-2-yl)-4-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
Compound ID: | F471-0227 |
Compound Name: | 2-benzyl-N-(butan-2-yl)-4-(2-methylpropyl)-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
Molecular Weight: | 447.54 |
Molecular Formula: | C25 H29 N5 O3 |
Smiles: | CCC(C)NC(c1ccc2C(N(CC(C)C)C3=NN(Cc4ccccc4)C(N3c2c1)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.565 |
logD: | 3.565 |
logSw: | -3.8285 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.333 |
InChI Key: | IDVWEMRNXKZEOD-KRWDZBQOSA-N |