1-(butylsulfanyl)-4-(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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: | 8640-0438 |
| Compound Name: | 1-(butylsulfanyl)-4-(4-methylphenyl)-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: | 468.64 |
| Molecular Formula: | C24 H28 N4 O2 S2 |
| Smiles: | CCCCSc1nnc2N(C(c3c4CC(C(C)C)OCc4sc3n12)=O)c1ccc(C)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0548 |
| logD: | 6.0548 |
| logSw: | -5.3909 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.696 |
| InChI Key: | BPYCWBRZVXHTAB-GOSISDBHSA-N |