1-(azepan-1-yl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one
1-(azepan-1-yl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one
Compound characteristics
| Compound ID: | E008-1135 |
| Compound Name: | 1-(azepan-1-yl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one |
| Molecular Weight: | 408.56 |
| Molecular Formula: | C23 H28 N4 O S |
| Smiles: | C1CCCN(CC1)C(CCSCc1cnn(c2ccccc2)c1n1cccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6682 |
| logD: | 4.6682 |
| logSw: | -4.4063 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.547 |
| InChI Key: | ZQAGJSWJQBTVCD-UHFFFAOYSA-N |