{3-hydroxy-2-[(4-nitrophenyl)sulfanyl]-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-yl}propanedinitrile
Chemical Structure Depiction of
{3-hydroxy-2-[(4-nitrophenyl)sulfanyl]-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-yl}propanedinitrile
{3-hydroxy-2-[(4-nitrophenyl)sulfanyl]-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-yl}propanedinitrile
Compound characteristics
| Compound ID: | 8008-7106 |
| Compound Name: | {3-hydroxy-2-[(4-nitrophenyl)sulfanyl]-3-phenyl-1-(thiophen-2-yl)prop-2-en-1-yl}propanedinitrile |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C22 H15 N3 O3 S2 |
| Smiles: | C(C(C#N)C(/C(=C(\c1ccccc1)O)Sc1ccc(cc1)[N+]([O-])=O)c1cccs1)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7543 |
| logD: | 4.7537 |
| logSw: | -4.6412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.758 |
| InChI Key: | WLVAMRSUUDISIA-VWKSNAFDSA-N |