1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
Compound ID: | F458-0032 |
Compound Name: | 1-{[(4-ethenylphenyl)methyl]sulfanyl}-4-(2-methylpropyl)[1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
Molecular Weight: | 390.51 |
Molecular Formula: | C22 H22 N4 O S |
Smiles: | CC(C)CN1C(c2ccccc2n2c1nnc2SCc1ccc(C=C)cc1)=O |
Stereo: | ACHIRAL |
logP: | 4.4531 |
logD: | 4.4531 |
logSw: | -4.392 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 39.583 |
InChI Key: | KRUGYHAKQKONQF-UHFFFAOYSA-N |