2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
Compound characteristics
| Compound ID: | J047-0566 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C25 H24 N4 O2 S |
| Smiles: | C=CCn1c(c2cc3ccccc3o2)nnc1SCC(Nc1cccc2CCCCc12)=O |
| Stereo: | ACHIRAL |
| logP: | 5.713 |
| logD: | 5.713 |
| logSw: | -6.6036 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.884 |
| InChI Key: | BIGHCOMNBBKPBH-UHFFFAOYSA-N |