3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclohexylpropanamide
Chemical Structure Depiction of
3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclohexylpropanamide
3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclohexylpropanamide
Compound characteristics
| Compound ID: | L942-0002 |
| Compound Name: | 3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}-N-cyclohexylpropanamide |
| Molecular Weight: | 410.5 |
| Molecular Formula: | C20 H22 N6 O2 S |
| Smiles: | C1CCC(CC1)NC(CCN1C(c2ccccc2n2c1nnc2SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9704 |
| logD: | 1.9704 |
| logSw: | -2.6545 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.251 |
| InChI Key: | BXWNSQUUTCEDJX-UHFFFAOYSA-N |