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
4-(3-methylphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
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: | 5627-0119 |
| Compound Name: | 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: | 336.41 |
| Molecular Formula: | C18 H16 N4 O S |
| Smiles: | Cc1cccc(c1)N1C(c2c3CCCCc3sc2n2cnnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.555 |
| logD: | 3.555 |
| logSw: | -3.8508 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.214 |
| InChI Key: | GCWYPVUGLLRXTF-UHFFFAOYSA-N |