N-[(2,4-dimethoxyphenyl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2,4-dimethoxyphenyl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide
N-[(2,4-dimethoxyphenyl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | M779-2182 |
| Compound Name: | N-[(2,4-dimethoxyphenyl)methyl]-1-{6-[(3-fluorophenyl)sulfanyl]pyrimidin-4-yl}piperidine-4-carboxamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C25 H27 F N4 O3 S |
| Smiles: | COc1ccc(CNC(C2CCN(CC2)c2cc(ncn2)Sc2cccc(c2)F)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7985 |
| logD: | 4.7983 |
| logSw: | -4.6461 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.641 |
| InChI Key: | ZMRSCYGGCIKHKR-UHFFFAOYSA-N |