N-benzyl-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-benzyl-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide
N-benzyl-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | C700-0873 |
| Compound Name: | N-benzyl-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide |
| Molecular Weight: | 322.4 |
| Molecular Formula: | C14 H14 N2 O3 S2 |
| Smiles: | CC(C(NCc1ccccc1)=O)Sc1ccsc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8777 |
| logD: | 2.8777 |
| logSw: | -3.3797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.102 |
| InChI Key: | IVSPRFNEXPIJPT-JTQLQIEISA-N |