2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
Chemical Structure Depiction of
2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
Compound characteristics
| Compound ID: | 8561-08336 |
| Compound Name: | 2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one |
| Molecular Weight: | 323.37 |
| Molecular Formula: | C16 H13 N5 O S |
| Smiles: | Cc1ccnc(n1)SCC1=CC(n2c3ccccc3nc2N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2918 |
| logD: | 2.1715 |
| logSw: | -2.6598 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.857 |
| InChI Key: | ZIPSOQDQNWQQIQ-UHFFFAOYSA-N |