ethyl 4-{[(2-nitrothiophen-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(2-nitrothiophen-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(2-nitrothiophen-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C755-0239 |
| Compound Name: | ethyl 4-{[(2-nitrothiophen-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 359.42 |
| Molecular Formula: | C13 H17 N3 O5 S2 |
| Smiles: | CCOC(N1CCN(CC1)C(CSc1ccsc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6386 |
| logD: | 1.6386 |
| logSw: | -2.225 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.59 |
| InChI Key: | YSPHTYORRQRERY-UHFFFAOYSA-N |