4-benzyl-1-[(cyanomethyl)sulfanyl]-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-benzyl-1-[(cyanomethyl)sulfanyl]-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-benzyl-1-[(cyanomethyl)sulfanyl]-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0633 |
| Compound Name: | 4-benzyl-1-[(cyanomethyl)sulfanyl]-5-oxo-N-(propan-2-yl)-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 432.5 |
| Molecular Formula: | C22 H20 N6 O2 S |
| Smiles: | CC(C)NC(c1ccc2C(N(Cc3ccccc3)c3nnc(n3c2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4468 |
| logD: | 2.4468 |
| logSw: | -3.1878 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.734 |
| InChI Key: | DPNIGERUYGQBNP-UHFFFAOYSA-N |