2-(1H-benzimidazol-2-yl)-3-(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1H-benzimidazol-2-yl)-3-(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)prop-2-enenitrile
2-(1H-benzimidazol-2-yl)-3-(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)prop-2-enenitrile
Compound characteristics
| Compound ID: | C639-0265 |
| Compound Name: | 2-(1H-benzimidazol-2-yl)-3-(5-{[(4-chlorophenyl)methyl]sulfanyl}furan-2-yl)prop-2-enenitrile |
| Molecular Weight: | 391.88 |
| Molecular Formula: | C21 H14 Cl N3 O S |
| Smiles: | C(c1ccc(cc1)[Cl])Sc1ccc(/C=C(C#N)/c2nc3ccccc3[nH]2)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.6046 |
| logD: | 5.604 |
| logSw: | -6.1313 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.104 |
| InChI Key: | IRHDLHRLJZIUDR-UHFFFAOYSA-N |