2-{[4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-{[4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
2-{[4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | Y205-7155 |
| Compound Name: | 2-{[4-(prop-2-en-1-yl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 417.57 |
| Molecular Formula: | C18 H19 N5 O S3 |
| Smiles: | C=CCn1c(c2csc3CCCCc23)nnc1SCC(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.995 |
| logD: | 3.9945 |
| logSw: | -4.1272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.786 |
| InChI Key: | PNJCOCXRCVEQMU-UHFFFAOYSA-N |