methyl 3-[2-({4-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 3-[2-({4-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
methyl 3-[2-({4-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | M459-1120 |
| Compound Name: | methyl 3-[2-({4-[4-(3-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 493.58 |
| Molecular Formula: | C25 H27 N5 O4 S |
| Smiles: | COC(c1cccc(c1)NC(CSc1nccc(n1)N1CCN(CC1)c1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8338 |
| logD: | 4.8338 |
| logSw: | -4.6905 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.735 |
| InChI Key: | IYJBRAFVXZIVOV-UHFFFAOYSA-N |