3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(2-methylpropyl)propanamide
Chemical Structure Depiction of
3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(2-methylpropyl)propanamide
3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(2-methylpropyl)propanamide
Compound characteristics
| Compound ID: | L942-0124 |
| Compound Name: | 3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-(2-methylpropyl)propanamide |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C18 H20 N6 O2 S |
| Smiles: | CC(C)CNC(CCN1C(c2ccccc2n2c1nnc2SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1162 |
| logD: | 1.1162 |
| logSw: | -2.3044 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.797 |
| InChI Key: | GHUINAANBYVNNG-UHFFFAOYSA-N |