2-[5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(2-methoxyethyl)-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-(2-methoxyethyl)-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-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine
Compound characteristics
| Compound ID: | D549-2097 |
| Compound Name: | 2-[5-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfanyl}-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]thieno[2,3-b]pyridin-3-amine |
| Molecular Weight: | 441.53 |
| Molecular Formula: | C20 H19 N5 O3 S2 |
| Smiles: | COCCn1c(c2c(c3cccnc3s2)N)nnc1SCc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.3166 |
| logD: | 3.315 |
| logSw: | -3.4355 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.216 |
| InChI Key: | ISOMGNVWOVXNGI-UHFFFAOYSA-N |