2-{[(4-chlorophenyl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
Chemical Structure Depiction of
2-{[(4-chlorophenyl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
2-{[(4-chlorophenyl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one
Compound characteristics
| Compound ID: | Y021-6425 |
| Compound Name: | 2-{[(4-chlorophenyl)sulfanyl]methyl}pyrimido[1,2-a]benzimidazol-4(1H)-one |
| Molecular Weight: | 341.82 |
| Molecular Formula: | C17 H12 Cl N3 O S |
| Smiles: | C(C1=CC(n2c3ccccc3nc2N1)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.968 |
| logD: | 3.804 |
| logSw: | -4.496 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.33 |
| InChI Key: | ZHKHBTGCVYXPAO-UHFFFAOYSA-N |