methyl 5-chloro-2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 5-chloro-2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
methyl 5-chloro-2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | L981-0697 |
| Compound Name: | methyl 5-chloro-2-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 498 |
| Molecular Formula: | C24 H24 Cl N5 O3 S |
| Smiles: | COC(c1cc(ccc1NC(CSc1c(nccn1)N1CCN(CC1)c1ccccc1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.44 |
| logD: | 3.9052 |
| logSw: | -4.6052 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.465 |
| InChI Key: | ILYUEQLZRQXVNB-UHFFFAOYSA-N |