2-(benzylsulfanyl)-9-(4-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-9-(4-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(benzylsulfanyl)-9-(4-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C202-2902 |
| Compound Name: | 2-(benzylsulfanyl)-9-(4-chlorophenyl)-6,6-dimethyl-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 450.99 |
| Molecular Formula: | C24 H23 Cl N4 O S |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[Cl])n3c(N2)nc(n3)SCc2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5427 |
| logD: | 5.4037 |
| logSw: | -6.1312 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.067 |
| InChI Key: | RDAUJRVSKCPZRQ-NRFANRHFSA-N |