methyl 4-[2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | M459-3796 |
| Compound Name: | methyl 4-[2-({4-[4-(2,5-dimethylphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)c1ccnc(n1)SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7032 |
| logD: | 5.7031 |
| logSw: | -5.3354 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.891 |
| InChI Key: | QHRRAYCQSOOSER-UHFFFAOYSA-N |