2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C118-0100 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-9-(4-hydroxyphenyl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 438.93 |
| Molecular Formula: | C22 H19 Cl N4 O2 S |
| Smiles: | C1CC2=C(C(c3ccc(cc3)O)n3c(N2)nc(n3)SCc2ccccc2[Cl])C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.659 |
| logD: | 4.5971 |
| logSw: | -4.5943 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.684 |
| InChI Key: | YHTPJSZCNWCCCD-FQEVSTJZSA-N |