N-[2-(2,5-dimethoxyphenyl)ethyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C799-0494 |
| Compound Name: | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C26 H28 N4 O3 S |
| Smiles: | COc1ccc(c(CCNC(CSCc2cnn(c3ccccc3)c2n2cccc2)=O)c1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8525 |
| logD: | 4.8525 |
| logSw: | -4.4689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.311 |
| InChI Key: | LQEWHBLSPRJRLO-UHFFFAOYSA-N |