methyl 4-[2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | L981-0576 |
| Compound Name: | methyl 4-[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(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1914 |
| logD: | 5.1913 |
| logSw: | -5.0452 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.862 |
| InChI Key: | CDVRGKHXFVPESA-UHFFFAOYSA-N |