N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea
Compound characteristics
| Compound ID: | F882-0418 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-(2-{[(4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]sulfanyl}phenyl)urea |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C23 H18 N4 O4 S |
| Smiles: | C1Oc2ccc(cc2O1)NC(Nc1ccccc1SCC1=CC(N2C=CC=CC2=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4854 |
| logD: | 3.4854 |
| logSw: | -3.7753 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.674 |
| InChI Key: | TYFNMVCDBTZWJS-UHFFFAOYSA-N |