N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E008-0110 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamide |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C24 H22 N4 O3 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(CSCc1cnn(c2ccccc2)c1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6414 |
| logD: | 4.6414 |
| logSw: | -4.5796 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.41 |
| InChI Key: | AJFCJUXKVQREAZ-UHFFFAOYSA-N |