methyl 3-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 3-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 3-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | D549-1931 |
| Compound Name: | methyl 3-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C21 H19 N5 O2 S2 |
| Smiles: | COC(c1cccc(CSc2nnc(c3c(c4cccnc4s3)N)n2C2CC2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9874 |
| logD: | 3.9858 |
| logSw: | -4.3533 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.589 |
| InChI Key: | IHXHMUVBPTUENP-UHFFFAOYSA-N |