3-methyl-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
3-methyl-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
3-methyl-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | D439-6239 |
| Compound Name: | 3-methyl-N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(c3cccc(C)c3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0204 |
| logD: | 2.9799 |
| logSw: | -3.3402 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.889 |
| InChI Key: | FVDRJLSIWSTHGA-UHFFFAOYSA-N |