N-(4-bromophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(4-bromophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8008-6413 |
| Compound Name: | N-(4-bromophenyl)-2-{[5-(phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 495.4 |
| Molecular Formula: | C23 H19 Br N4 O2 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCC(Nc1ccc(cc1)[Br])=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8896 |
| logD: | 4.8895 |
| logSw: | -4.8142 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.337 |
| InChI Key: | IBJFSSFIGCVEIL-UHFFFAOYSA-N |