methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Chemical Structure Depiction of
methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | D549-2999 |
| Compound Name: | methyl {[5-(3-aminothieno[2,3-b]pyridin-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C15 H15 N5 O2 S2 |
| Smiles: | COC(CSc1nnc(c2c(c3cccnc3s2)N)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1019 |
| logD: | 2.1003 |
| logSw: | -2.5119 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.608 |
| InChI Key: | OEPAGVMKOVBBTE-UHFFFAOYSA-N |