2-{[5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
Chemical Structure Depiction of
2-{[5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
2-{[5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide
Compound characteristics
| Compound ID: | C592-3789 |
| Compound Name: | 2-{[5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-benzylacetamide |
| Molecular Weight: | 467.63 |
| Molecular Formula: | C22 H21 N5 O S3 |
| Smiles: | C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(NCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4938 |
| logD: | 4.4938 |
| logSw: | -4.4585 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.748 |
| InChI Key: | BPSFRTUQWUQAFB-UHFFFAOYSA-N |