2-(cyanomethyl)-4-[(4-methylphenyl)methyl]-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-(cyanomethyl)-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-(cyanomethyl)-4-[(4-methylphenyl)methyl]-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: | F471-0598 |
| Compound Name: | 2-(cyanomethyl)-4-[(4-methylphenyl)methyl]-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 430.47 |
| Molecular Formula: | C23 H22 N6 O3 |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccc(C)cc3)C3=NN(CC#N)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2435 |
| logD: | 2.2435 |
| logSw: | -3.0165 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.336 |
| InChI Key: | WZLDCPKBKFWIIM-UHFFFAOYSA-N |