2-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
Chemical Structure Depiction of
2-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
2-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine
Compound characteristics
| Compound ID: | D549-2013 |
| Compound Name: | 2-(5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)thieno[2,3-b]pyridin-3-amine |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C19 H17 N5 O2 S2 |
| Smiles: | CCn1c(c2c(c3cccnc3s2)N)nnc1SCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.7433 |
| logD: | 3.7417 |
| logSw: | -4.0277 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.62 |
| InChI Key: | PRXGAYOWDPLAPR-UHFFFAOYSA-N |