6,6'-[butane-1,4-diylbis(sulfanediyl)]bis[4-(4-butoxyphenyl)-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide]
Chemical Structure Depiction of
6,6'-[butane-1,4-diylbis(sulfanediyl)]bis[4-(4-butoxyphenyl)-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide]
6,6'-[butane-1,4-diylbis(sulfanediyl)]bis[4-(4-butoxyphenyl)-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide]
Compound characteristics
| Compound ID: | 0892-0740 |
| Compound Name: | 6,6'-[butane-1,4-diylbis(sulfanediyl)]bis[4-(4-butoxyphenyl)-5-cyano-2-methyl-N-phenylpyridine-3-carboxamide] |
| Molecular Weight: | 889.16 |
| Molecular Formula: | C52 H52 N6 O4 S2 |
| Smiles: | CCCCOc1ccc(cc1)c1c(C#N)c(nc(C)c1C(Nc1ccccc1)=O)SCCCCSc1c(C#N)c(c2ccc(cc2)OCCCC)c(C(Nc2ccccc2)=O)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 12.9077 |
| logD: | 12.9072 |
| logSw: | -5.878 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.202 |
| InChI Key: | KMQVBOPSDNQOGF-UHFFFAOYSA-N |