({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)acetic acid
Chemical Structure Depiction of
({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)acetic acid
({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | Y205-5599 |
| Compound Name: | ({2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}sulfanyl)acetic acid |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C14 H17 N3 O5 S |
| Smiles: | C1CN(CCN1C(CSCC(O)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1728 |
| logD: | -2.1958 |
| logSw: | -2.0327 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.657 |
| InChI Key: | PXOWMCBIPYZGNU-UHFFFAOYSA-N |