N-{[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
N-{[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K400-05197 |
| Compound Name: | N-{[5-{[(4-bromophenyl)methyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 556.41 |
| Molecular Formula: | C24 H19 Br F N5 O3 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(NCc1nnc(n1c1ccc(cc1)F)SCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3199 |
| logD: | 5.3193 |
| logSw: | -5.3607 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.454 |
| InChI Key: | MFOWLSUFBQPJJV-UHFFFAOYSA-N |