4-bromo-N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
4-bromo-N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
4-bromo-N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | F518-0628 |
| Compound Name: | 4-bromo-N-{2-[(5-ethyl-2-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 468.37 |
| Molecular Formula: | C21 H18 Br N5 O S |
| Smiles: | CCc1cc(n2c(n1)nc(C)n2)Sc1ccccc1NC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9019 |
| logD: | 4.9018 |
| logSw: | -4.5977 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.503 |
| InChI Key: | VVMOTAGNSYXMAB-UHFFFAOYSA-N |