N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L898-1114 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({3-[(3-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C21 H19 N3 O3 S2 |
| Smiles: | Cc1cccc(c1)Sc1c(nccn1)SCC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0091 |
| logD: | 4.0091 |
| logSw: | -4.0479 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.641 |
| InChI Key: | YARMQVLUDHVBFJ-UHFFFAOYSA-N |