2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
Chemical Structure Depiction of
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | C700-1009 |
| Compound Name: | 2-[(2-nitrothiophen-3-yl)sulfanyl]-1-[4-(pyridin-2-yl)piperazin-1-yl]propan-1-one |
| Molecular Weight: | 378.47 |
| Molecular Formula: | C16 H18 N4 O3 S2 |
| Smiles: | CC(C(N1CCN(CC1)c1ccccn1)=O)Sc1ccsc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0105 |
| logD: | 3.0017 |
| logSw: | -3.2198 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.109 |
| InChI Key: | UFAFQWRIFDXLTF-LBPRGKRZSA-N |