2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Chemical Structure Depiction of
2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide
Compound characteristics
| Compound ID: | V029-8193 |
| Compound Name: | 2-({[4-ethyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-N-[(4-fluorophenyl)methyl]benzamide |
| Molecular Weight: | 491.54 |
| Molecular Formula: | C25 H22 F N5 O3 S |
| Salt: | not_available |
| Smiles: | CCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4122 |
| logD: | 5.4118 |
| logSw: | -5.3291 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.76 |
| InChI Key: | MQCYAWLDAKAVNF-UHFFFAOYSA-N |