1-(butylsulfanyl)-4-{[4-(propan-2-yl)phenyl]methyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-(butylsulfanyl)-4-{[4-(propan-2-yl)phenyl]methyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-(butylsulfanyl)-4-{[4-(propan-2-yl)phenyl]methyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F401-0485 |
| Compound Name: | 1-(butylsulfanyl)-4-{[4-(propan-2-yl)phenyl]methyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 412.57 |
| Molecular Formula: | C21 H24 N4 O S2 |
| Smiles: | CCCCSc1nnc2N(Cc3ccc(cc3)C(C)C)C(c3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9815 |
| logD: | 5.9815 |
| logSw: | -5.3889 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.602 |
| InChI Key: | PAJXNHMEQQLRQE-UHFFFAOYSA-N |