4-benzyl-N-(butan-2-yl)-2-[(2-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-benzyl-N-(butan-2-yl)-2-[(2-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-benzyl-N-(butan-2-yl)-2-[(2-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0516 |
| Compound Name: | 4-benzyl-N-(butan-2-yl)-2-[(2-methylphenyl)methyl]-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 495.58 |
| Molecular Formula: | C29 H29 N5 O3 |
| Smiles: | CCC(C)NC(c1ccc2C(N(Cc3ccccc3)C3=NN(Cc4ccccc4C)C(N3c2c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.673 |
| logD: | 4.673 |
| logSw: | -4.3545 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.062 |
| InChI Key: | SISNRMRKKGCXIZ-FQEVSTJZSA-N |