2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | C755-0274 |
| Compound Name: | 2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyrimidin-2-yl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 365.43 |
| Molecular Formula: | C14 H15 N5 O3 S2 |
| Smiles: | C1CN(CCN1C(CSc1ccsc1[N+]([O-])=O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 1.9008 |
| logD: | 1.9007 |
| logSw: | -2.119 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.432 |
| InChI Key: | DMPCHSIPTUHACU-UHFFFAOYSA-N |