2-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine--hydrogen chloride (1/2)
Chemical Structure Depiction of
2-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine--hydrogen chloride (1/2)
2-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine--hydrogen chloride (1/2)
Compound characteristics
Compound ID: | D549-2581 |
Compound Name: | 2-(5-{[(3-methylphenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine--hydrogen chloride (1/2) |
Molecular Weight: | 510.51 |
Molecular Formula: | C22 H23 N5 O S2 |
Salt: | 2HCl |
Smiles: | Cc1cccc(CSc2nnc(c3c(c4cccnc4s3)N)n2CC2CCCO2)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2632 |
logD: | 4.2616 |
logSw: | -4.4279 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.162 |
InChI Key: | PWEJIGMQCOQCHS-MRXNPFEDSA-N |