2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole
Chemical Structure Depiction of
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole
Compound characteristics
| Compound ID: | V009-0581 |
| Compound Name: | 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-(3-ethoxypropyl)-5-(3-methylpiperidine-1-sulfonyl)-1H-benzimidazole |
| Molecular Weight: | 540.12 |
| Molecular Formula: | C25 H31 Cl F N3 O3 S2 |
| Salt: | not_available |
| Smiles: | CCOCCCn1c2ccc(cc2nc1SCc1c(cccc1[Cl])F)S(N1CCCC(C)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0295 |
| logD: | 6.0291 |
| logSw: | -6.2129 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.349 |
| InChI Key: | XMGFDFGEYXYAKS-SFHVURJKSA-N |