9-(4-ethoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-ethoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-ethoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
Compound ID: | C202-1432 |
Compound Name: | 9-(4-ethoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
Molecular Weight: | 477.54 |
Molecular Formula: | C24 H23 N5 O4 S |
Smiles: | CCOc1ccc(cc1)C1C2=C(CCCC2=O)Nc2nc(nn12)SCc1ccc(cc1)[N+]([O-])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6371 |
logD: | 4.5752 |
logSw: | -4.3675 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.572 |
InChI Key: | HIFZMKYFAVOEAX-QFIPXVFZSA-N |