methyl 3-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate
methyl 3-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | L981-0733 |
| Compound Name: | methyl 3-(2-{[3-(4-phenylpiperazin-1-yl)pyrazin-2-yl]sulfanyl}acetamido)thiophene-2-carboxylate |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C22 H23 N5 O3 S2 |
| Smiles: | COC(c1c(ccs1)NC(CSc1c(nccn1)N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3955 |
| logD: | 3.3608 |
| logSw: | -3.6747 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.484 |
| InChI Key: | AQOVQKKUVWBNQB-UHFFFAOYSA-N |