4-tert-butyl-N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Chemical Structure Depiction of
4-tert-butyl-N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
4-tert-butyl-N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide
Compound characteristics
| Compound ID: | F518-0277 |
| Compound Name: | 4-tert-butyl-N-{2-[(5,6-dimethyl-2-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]phenyl}benzamide |
| Molecular Weight: | 507.66 |
| Molecular Formula: | C30 H29 N5 O S |
| Smiles: | Cc1c(C)nc2nc(c3ccccc3)nn2c1Sc1ccccc1NC(c1ccc(cc1)C(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4482 |
| logD: | 7.448 |
| logSw: | -5.9214 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.477 |
| InChI Key: | SQNPYCGXDGZGSM-UHFFFAOYSA-N |