methyl 2-[2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
Compound ID: | L981-0575 |
Compound Name: | methyl 2-[2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate |
Molecular Weight: | 491.61 |
Molecular Formula: | C26 H29 N5 O3 S |
Smiles: | Cc1cccc(c1C)N1CCN(CC1)c1c(nccn1)SCC(Nc1ccccc1C(=O)OC)=O |
Stereo: | ACHIRAL |
logP: | 4.8252 |
logD: | 4.8087 |
logSw: | -4.5329 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 68.164 |
InChI Key: | NBKNZSWNVQWBDE-UHFFFAOYSA-N |