4-(3-methylphenyl)-1-(pentylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-(3-methylphenyl)-1-(pentylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-(3-methylphenyl)-1-(pentylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | 5627-0126 |
| Compound Name: | 4-(3-methylphenyl)-1-(pentylsulfanyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 438.61 |
| Molecular Formula: | C23 H26 N4 O S2 |
| Smiles: | CCCCCSc1nnc2N(C(c3c4CCCCc4sc3n12)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4931 |
| logD: | 6.4931 |
| logSw: | -5.4339 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.344 |
| InChI Key: | VSMJDGIWHANTFH-UHFFFAOYSA-N |