methyl 2-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 2-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 2-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | D549-3020 |
| Compound Name: | methyl 2-({[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C21 H19 N5 O2 S2 |
| Smiles: | COC(c1ccccc1CSc1nnc(c2c(c3cccnc3s2)N)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1136 |
| logD: | 4.112 |
| logSw: | -4.3405 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.932 |
| InChI Key: | ZOUWZLPYXRLUBL-UHFFFAOYSA-N |