ethyl 3-[2-({3-[(2-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 3-[2-({3-[(2-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
ethyl 3-[2-({3-[(2-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | L898-0701 |
| Compound Name: | ethyl 3-[2-({3-[(2-methylphenyl)sulfanyl]pyrazin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C22 H21 N3 O3 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(CSc1c(nccn1)Sc1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.118 |
| logD: | 5.118 |
| logSw: | -4.9368 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.957 |
| InChI Key: | SBKJCRIKTJXHIV-UHFFFAOYSA-N |