2-{[(naphthalen-2-yl)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-{[(naphthalen-2-yl)methyl]sulfanyl}-9-(4-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(naphthalen-2-yl)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: | C202-1124 |
| Compound Name: | 2-{[(naphthalen-2-yl)methyl]sulfanyl}-9-(4-nitrophenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 483.55 |
| Molecular Formula: | C26 H21 N5 O3 S |
| Smiles: | C1CC2=C(C(c3ccc(cc3)[N+]([O-])=O)n3c(N2)nc(n3)SCc2ccc3ccccc3c2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.857 |
| logD: | 5.7951 |
| logSw: | -6.6963 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.177 |
| InChI Key: | DJTGXYVKSVPXQT-DEOSSOPVSA-N |