3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclopentylpropanamide
Chemical Structure Depiction of
3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclopentylpropanamide
3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclopentylpropanamide
Compound characteristics
| Compound ID: | L942-0101 |
| Compound Name: | 3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclopentylpropanamide |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C19 H20 N6 O2 S |
| Smiles: | C1CCC(C1)NC(CCN1C(c2ccccc2n2c1nnc2SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5151 |
| logD: | 1.5151 |
| logSw: | -2.4287 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.617 |
| InChI Key: | CCABLNRZELMFJQ-UHFFFAOYSA-N |