3,7-bis(butylsulfanyl)-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(butylsulfanyl)-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(butylsulfanyl)-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: | 5508-0270 |
| Compound Name: | 3,7-bis(butylsulfanyl)-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:4',3'-c]pyrimidine |
| Molecular Weight: | 446.66 |
| Molecular Formula: | C20 H26 N6 S3 |
| Smiles: | CCCCSc1nnc2c3c4CCCCc4sc3n3c(nnc3n12)SCCCC |
| Stereo: | ACHIRAL |
| logP: | 6.1181 |
| logD: | 6.1177 |
| logSw: | -5.6354 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.387 |
| InChI Key: | GQJSGOOWLJQCKN-UHFFFAOYSA-N |