3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-[(2,5-dimethoxyphenyl)methyl]propanamide
Chemical Structure Depiction of
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-[(2,5-dimethoxyphenyl)methyl]propanamide
3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-[(2,5-dimethoxyphenyl)methyl]propanamide
Compound characteristics
| Compound ID: | K786-6917 |
| Compound Name: | 3-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-N-[(2,5-dimethoxyphenyl)methyl]propanamide |
| Molecular Weight: | 397.89 |
| Molecular Formula: | C19 H21 Cl F N O3 S |
| Smiles: | COc1ccc(c(CNC(CCSCc2ccc(cc2[Cl])F)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5209 |
| logD: | 4.5209 |
| logSw: | -4.6102 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.612 |
| InChI Key: | ACMBWTZFZNVZNG-UHFFFAOYSA-N |