1-(butylsulfanyl)-4-(4-methoxyphenyl)-7-(propan-2-yl)-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-(butylsulfanyl)-4-(4-methoxyphenyl)-7-(propan-2-yl)-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-(butylsulfanyl)-4-(4-methoxyphenyl)-7-(propan-2-yl)-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: | 6280-0787 |
| Compound Name: | 1-(butylsulfanyl)-4-(4-methoxyphenyl)-7-(propan-2-yl)-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: | 484.64 |
| Molecular Formula: | C24 H28 N4 O3 S2 |
| Smiles: | CCCCSc1nnc2N(C(c3c4CC(C(C)C)OCc4sc3n12)=O)c1ccc(cc1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6138 |
| logD: | 5.6138 |
| logSw: | -5.4037 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.24 |
| InChI Key: | IKAMKEPNXULMIE-GOSISDBHSA-N |