2-{[(3-methylphenyl)methyl]sulfanyl}-9-(4-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one

Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-9-(4-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Available: 108 mg
Amount:
mg
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Compound characteristics

Compound ID: C202-1445
Compound Name: 2-{[(3-methylphenyl)methyl]sulfanyl}-9-(4-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Molecular Weight: 447.51
Molecular Formula: C23 H21 N5 O3 S
Smiles: Cc1cccc(CSc2nc3NC4CCCC(C=4C(c4ccc(cc4)[N+]([O-])=O)n3n2)=O)c1
Stereo: RACEMIC MIXTURE
logP: 5.1922
logD: 5.1303
logSw: -5.0226
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 82.448
InChI Key: NSHVIPONEOGEHQ-NRFANRHFSA-N
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