N-(butan-2-yl)-3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Chemical Structure Depiction of
N-(butan-2-yl)-3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
N-(butan-2-yl)-3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Compound characteristics
| Compound ID: | L942-0069 |
| Compound Name: | N-(butan-2-yl)-3-{1-[(cyanomethyl)sulfanyl]-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide |
| Molecular Weight: | 384.46 |
| Molecular Formula: | C18 H20 N6 O2 S |
| Smiles: | CCC(C)NC(CCN1C(c2ccccc2n2c1nnc2SCC#N)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2217 |
| logD: | 1.2217 |
| logSw: | -2.3794 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.238 |
| InChI Key: | HJDQQXDYIXQENK-LBPRGKRZSA-N |