2-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine-7-thiol
Chemical Structure Depiction of
2-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine-7-thiol
2-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine-7-thiol
Compound characteristics
| Compound ID: | 8019-5942 |
| Compound Name: | 2-methyl-10,11,12,13-tetrahydro[1]benzothieno[3,2-e]bis[1,2,4]triazolo[4,3-a:1',5'-c]pyrimidine-7-thiol |
| Molecular Weight: | 316.4 |
| Molecular Formula: | C13 H12 N6 S2 |
| Smiles: | Cc1nc2c3c4CCCCc4sc3n3c(nnc3n2n1)S |
| Stereo: | ACHIRAL |
| logP: | 2.1747 |
| logD: | 2.1493 |
| logSw: | -2.1343 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.379 |
| InChI Key: | XJCPZFKFFKOQJN-UHFFFAOYSA-N |