2-[(4-chlorophenyl)sulfanyl]-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)acetamide
Chemical Structure Depiction of
2-[(4-chlorophenyl)sulfanyl]-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)acetamide
2-[(4-chlorophenyl)sulfanyl]-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)acetamide
Compound characteristics
| Compound ID: | D439-4158 |
| Compound Name: | 2-[(4-chlorophenyl)sulfanyl]-N-(4-methyl-3-{[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methoxy}phenyl)acetamide |
| Molecular Weight: | 498 |
| Molecular Formula: | C24 H24 Cl N5 O3 S |
| Smiles: | CC(C)N1C=NC2=NC(COc3cc(ccc3C)NC(CSc3ccc(cc3)[Cl])=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7512 |
| logD: | 3.4078 |
| logSw: | -4.2941 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.641 |
| InChI Key: | QMQZDDJUBZEBET-UHFFFAOYSA-N |