2-(benzylsulfanyl)-6,6-dimethyl-9-(pyridin-4-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Chemical Structure Depiction of
2-(benzylsulfanyl)-6,6-dimethyl-9-(pyridin-4-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
2-(benzylsulfanyl)-6,6-dimethyl-9-(pyridin-4-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one
Compound characteristics
| Compound ID: | C118-0150 |
| Compound Name: | 2-(benzylsulfanyl)-6,6-dimethyl-9-(pyridin-4-yl)-5,6,7,9-tetrahydro[1,2,4]triazolo[5,1-b]quinazolin-8(4H)-one |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C23 H23 N5 O S |
| Smiles: | CC1(C)CC2=C(C(c3ccncc3)n3c(N2)nc(n3)SCc2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7902 |
| logD: | 3.651 |
| logSw: | -3.8957 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.495 |
| InChI Key: | PIDJLYDIMTXPOQ-FQEVSTJZSA-N |