4-bromo-N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
4-bromo-N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
4-bromo-N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | L281-0109 |
| Compound Name: | 4-bromo-N-{4-[(5,6-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 454.35 |
| Molecular Formula: | C20 H16 Br N5 O S |
| Smiles: | Cc1c(C)nc2ncnn2c1Sc1ccc(cc1)NC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6985 |
| logD: | 4.6976 |
| logSw: | -4.4149 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.387 |
| InChI Key: | CRRYXVCNRAGAIE-UHFFFAOYSA-N |