1-(benzylsulfanyl)-7,7-dimethyl-4-(4-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-(benzylsulfanyl)-7,7-dimethyl-4-(4-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-(benzylsulfanyl)-7,7-dimethyl-4-(4-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 4464-0715 |
| Compound Name: | 1-(benzylsulfanyl)-7,7-dimethyl-4-(4-methylphenyl)-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 488.63 |
| Molecular Formula: | C26 H24 N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)N1C(c2c3CC(C)(C)OCc3sc2n2c1nnc2SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3697 |
| logD: | 5.3697 |
| logSw: | -5.4861 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.77 |
| InChI Key: | JIHZUMAFMCPFBU-UHFFFAOYSA-N |