4-{[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-propylfuran-2-carbonitrile
Chemical Structure Depiction of
4-{[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-propylfuran-2-carbonitrile
4-{[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-propylfuran-2-carbonitrile
Compound characteristics
| Compound ID: | 8017-3983 |
| Compound Name: | 4-{[(5-anilino-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5-propylfuran-2-carbonitrile |
| Molecular Weight: | 415.52 |
| Molecular Formula: | C23 H21 N5 O S |
| Smiles: | CCCc1c(CSc2nnc(Nc3ccccc3)n2c2ccccc2)cc(C#N)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.4389 |
| logD: | 5.4389 |
| logSw: | -5.4337 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.105 |
| InChI Key: | BBLBBLZGCYLAKN-UHFFFAOYSA-N |