N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide
Compound characteristics
| Compound ID: | 8014-2432 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}propanamide |
| Molecular Weight: | 516.66 |
| Molecular Formula: | C29 H32 N4 O3 S |
| Smiles: | CC(C(NCCc1ccc(c(c1)OC)OC)=O)Sc1nnc(CCc2ccccc2)n1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4528 |
| logD: | 4.4528 |
| logSw: | -4.3787 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.476 |
| InChI Key: | RGGODIDLDUHEBL-NRFANRHFSA-N |