2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide
2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V004-8580 |
| Compound Name: | 2-{[(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 494.62 |
| Molecular Formula: | C29 H26 N4 O2 S |
| Salt: | not_available |
| Smiles: | C(c1ccccc1)c1nnc(n1Cc1ccccc1)SCc1ccccc1C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0051 |
| logD: | 6.0049 |
| logSw: | -5.9247 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.107 |
| InChI Key: | LWBRRVIOKUHYOY-UHFFFAOYSA-N |