1-(benzylsulfanyl)-4-(4-methoxyphenyl)-7,7-dimethyl-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)-4-(4-methoxyphenyl)-7,7-dimethyl-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)-4-(4-methoxyphenyl)-7,7-dimethyl-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: | 3807-1243 |
| Compound Name: | 1-(benzylsulfanyl)-4-(4-methoxyphenyl)-7,7-dimethyl-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: | 504.63 |
| Molecular Formula: | C26 H24 N4 O3 S2 |
| Smiles: | CC1(C)Cc2c3C(N(c4ccc(cc4)OC)c4nnc(n4c3sc2CO1)SCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9287 |
| logD: | 4.9287 |
| logSw: | -4.9222 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.313 |
| InChI Key: | JFKHLYXDNOKIJY-UHFFFAOYSA-N |