N-(4-chlorophenyl)-N'-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
Chemical Structure Depiction of
N-(4-chlorophenyl)-N'-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
N-(4-chlorophenyl)-N'-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea
Compound characteristics
| Compound ID: | D471-2683 |
| Compound Name: | N-(4-chlorophenyl)-N'-(2-{[(7-oxo-1-propyl-1,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)methyl]sulfanyl}phenyl)urea |
| Molecular Weight: | 468.96 |
| Molecular Formula: | C22 H21 Cl N6 O2 S |
| Smiles: | CCCN1C=NC2=NC(CSc3ccccc3NC(Nc3ccc(cc3)[Cl])=O)=CC(N12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6974 |
| logD: | 3.6572 |
| logSw: | -4.3528 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.101 |
| InChI Key: | QZSWTEHEUVFCCX-UHFFFAOYSA-N |