N-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-en-1-yl)phenyl]acetamide
Chemical Structure Depiction of
N-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-en-1-yl)phenyl]acetamide
N-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-en-1-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8009-1634 |
| Compound Name: | N-[4-(3-amino-2-cyano-3-sulfanylideneprop-1-en-1-yl)phenyl]acetamide |
| Molecular Weight: | 245.3 |
| Molecular Formula: | C12 H11 N3 O S |
| Smiles: | CC(Nc1ccc(/C=C(/C#N)C(N)=S)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2069 |
| logD: | 1.2069 |
| logSw: | -1.9871 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.009 |
| InChI Key: | ZPJQOEDGLVPGEC-UHFFFAOYSA-N |