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