3,7-bis(ethylsulfanyl)-11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Chemical Structure Depiction of
3,7-bis(ethylsulfanyl)-11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
3,7-bis(ethylsulfanyl)-11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine
Compound characteristics
| Compound ID: | 8016-4426 |
| Compound Name: | 3,7-bis(ethylsulfanyl)-11-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine |
| Molecular Weight: | 404.58 |
| Molecular Formula: | C17 H20 N6 S3 |
| Smiles: | CCSc1nnc2c3c4CCC(C)Cc4sc3n3c(nnc3n12)SCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5171 |
| logD: | 4.5168 |
| logSw: | -4.4803 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.387 |
| InChI Key: | IPZGVXRPMVUAAY-SECBINFHSA-N |