N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
Compound characteristics
| Compound ID: | E008-1228 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide |
| Molecular Weight: | 460.55 |
| Molecular Formula: | C25 H24 N4 O3 S |
| Smiles: | C(CSCc1cnn(c2ccccc2)c1n1cccc1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6026 |
| logD: | 4.6026 |
| logSw: | -4.3819 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.41 |
| InChI Key: | NWBNPNURJLRBGL-UHFFFAOYSA-N |