9-(3-chlorophenyl)-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-(3-chlorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(3-chlorophenyl)-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: | C202-1434 |
| Compound Name: | 9-(3-chlorophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 467.93 |
| Molecular Formula: | C22 H18 Cl N5 O3 S |
| Smiles: | C1CC2=C(C(c3cccc(c3)[Cl])n3c(N2)nc(n3)SCc2ccc(cc2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.871 |
| logD: | 4.8091 |
| logSw: | -5.0677 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.448 |
| InChI Key: | OADNQLVLCRHLNL-FQEVSTJZSA-N |