2-{[5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
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-[(furan-2-yl)methyl]acetamide
2-{[5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C592-3790 |
| 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-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C20 H19 N5 O2 S3 |
| Smiles: | C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2445 |
| logD: | 4.2445 |
| logSw: | -4.3258 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.497 |
| InChI Key: | YGKXCLDSTQPVSC-UHFFFAOYSA-N |