9-(4-chlorophenyl)-2-{[(naphthalen-2-yl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
9-(4-chlorophenyl)-2-{[(naphthalen-2-yl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
9-(4-chlorophenyl)-2-{[(naphthalen-2-yl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2051 |
| Compound Name: | 9-(4-chlorophenyl)-2-{[(naphthalen-2-yl)methyl]sulfanyl}-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 473 |
| Molecular Formula: | C26 H21 Cl N4 O S |
| Smiles: | C1CC2=C(C(c3ccc(cc3)[Cl])n3c(N2)nc(n3)SCc2ccc3ccccc3c2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.526 |
| logD: | 6.4641 |
| logSw: | -6.848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.795 |
| InChI Key: | JIGNXRJQFSYFHU-DEOSSOPVSA-N |