2-{[(2-chlorophenyl)methyl]sulfanyl}-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Chemical Structure Depiction of
2-{[(2-chlorophenyl)methyl]sulfanyl}-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
2-{[(2-chlorophenyl)methyl]sulfanyl}-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Compound characteristics
| Compound ID: | D718-0123 |
| Compound Name: | 2-{[(2-chlorophenyl)methyl]sulfanyl}-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one |
| Molecular Weight: | 420.92 |
| Molecular Formula: | C22 H17 Cl N4 O S |
| Smiles: | C1C(CC(C2=Cn3c(N=C12)nc(n3)SCc1ccccc1[Cl])=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8325 |
| logD: | 4.8325 |
| logSw: | -4.9673 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.121 |
| InChI Key: | YZYFCNHWRGSTSM-MRXNPFEDSA-N |