2-(methylsulfanyl)-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Chemical Structure Depiction of
2-(methylsulfanyl)-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Available: 71 mg
Amount:
mg
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Compound characteristics

Compound ID: K832-3216
Compound Name: 2-(methylsulfanyl)-9-(2-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Molecular Weight: 357.39
Molecular Formula: C16 H15 N5 O3 S
Smiles: CSc1nc2NC3CCCC(C=3C(c3ccccc3[N+]([O-])=O)n2n1)=O
Stereo: RACEMIC MIXTURE
logP: 2.9546
logD: 2.8483
logSw: -3.7494
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 82.419
InChI Key: MKTMLGDWVZVHBA-AWEZNQCLSA-N
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