N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-N'-phenylurea
Chemical Structure Depiction of
N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-N'-phenylurea
N-[4-({[7-oxo-1-(propan-2-yl)-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]methyl}sulfanyl)phenyl]-N'-phenylurea
Compound characteristics
| Compound ID: | D471-2963 |
| Compound Name: | N-[4-({[7-oxo-1-(propan-2-yl)-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: | CC(C)N1C=NC2=NC(CSc3ccc(cc3)NC(Nc3ccccc3)=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2845 |
| logD: | 3.1158 |
| logSw: | -3.7467 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.48 |
| InChI Key: | XFVFQUZYIMJNMM-UHFFFAOYSA-N |