methyl 4-({[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 4-({[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 4-({[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: | D549-3019 |
| Compound Name: | methyl 4-({[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(c1ccc(CSc2nnc(c3c(c4cccnc4s3)N)n2CC=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8971 |
| logD: | 3.8955 |
| logSw: | -4.0404 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.932 |
| InChI Key: | CRXJSZCKXYCBKH-UHFFFAOYSA-N |