N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-N'-phenylurea
Chemical Structure Depiction of
N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-N'-phenylurea
N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-N'-phenylurea
Compound characteristics
| Compound ID: | D471-2681 |
| Compound Name: | N-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)-N'-phenylurea |
| Molecular Weight: | 434.52 |
| Molecular Formula: | C22 H22 N6 O2 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(Nc3ccccc3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9109 |
| logD: | 2.8708 |
| logSw: | -3.4549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.101 |
| InChI Key: | GVLOYGBBRJKQRQ-UHFFFAOYSA-N |