2-bromo-N-{4-[(5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
2-bromo-N-{4-[(5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
2-bromo-N-{4-[(5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | C301-9886 |
| Compound Name: | 2-bromo-N-{4-[(5-propyl[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: | CCCc1cc(n2c(ncn2)n1)Sc1ccc(cc1)NC(c1ccccc1[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0085 |
| logD: | 5.0076 |
| logSw: | -4.6051 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.529 |
| InChI Key: | CWZAEWYXBABFDT-UHFFFAOYSA-N |