N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8014-7317 |
| Compound Name: | N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 563.5 |
| Molecular Formula: | C25 H19 Br N6 O S2 |
| Smiles: | C(c1ccc(cc1)[Br])c1cnc(NC(CSc2nnc(c3ccncc3)n2c2ccccc2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.5972 |
| logD: | 5.5961 |
| logSw: | -5.4338 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.587 |
| InChI Key: | QAGOSIMUKPWJQU-UHFFFAOYSA-N |