3-chloro-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
Chemical Structure Depiction of
3-chloro-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
3-chloro-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | D439-6171 |
| Compound Name: | 3-chloro-N-[2-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]benzamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C22 H20 Cl N5 O2 S |
| Smiles: | CC(C)N1C=NC2=NC(CSc3ccccc3NC(c3cccc(c3)[Cl])=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2529 |
| logD: | 3.0832 |
| logSw: | -3.7161 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.57 |
| InChI Key: | UTLVLXLHGPQNEM-UHFFFAOYSA-N |