methyl [2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxopyrimido[1,2-a]benzimidazol-1(4H)-yl]acetate
Chemical Structure Depiction of
methyl [2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxopyrimido[1,2-a]benzimidazol-1(4H)-yl]acetate
methyl [2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxopyrimido[1,2-a]benzimidazol-1(4H)-yl]acetate
Compound characteristics
| Compound ID: | D718-0697 |
| Compound Name: | methyl [2-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}-4-oxopyrimido[1,2-a]benzimidazol-1(4H)-yl]acetate |
| Molecular Weight: | 395.44 |
| Molecular Formula: | C19 H17 N5 O3 S |
| Smiles: | Cc1ccnc(n1)SCC1=CC(n2c3ccccc3nc2N1CC(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3414 |
| logD: | 2.3414 |
| logSw: | -2.5338 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.074 |
| InChI Key: | GQCRAKZZEKLATA-UHFFFAOYSA-N |