3-({[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
3-({[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
3-({[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V027-3865 |
| Compound Name: | 3-({[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C16 H16 N4 O2 S |
| Smiles: | CCn1c(c2ccco2)nnc1SCc1cccc(c1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0356 |
| logD: | 2.0355 |
| logSw: | -2.3851 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.603 |
| InChI Key: | DCFXCIRSBHBJGB-UHFFFAOYSA-N |