1-(ethylsulfanyl)-4-(3-methylphenyl)-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
1-(ethylsulfanyl)-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-(ethylsulfanyl)-4-(3-methylphenyl)-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: | 5627-0123 |
| Compound Name: | 1-(ethylsulfanyl)-4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 396.53 |
| Molecular Formula: | C20 H20 N4 O S2 |
| Smiles: | CCSc1nnc2N(C(c3c4CCCCc4sc3n12)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.795 |
| logD: | 4.795 |
| logSw: | -4.7432 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 39.344 |
| InChI Key: | BOUXDDGWVIKKMT-UHFFFAOYSA-N |