5-(4-benzylpiperidin-1-yl)-2-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(4-benzylpiperidin-1-yl)-2-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
5-(4-benzylpiperidin-1-yl)-2-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-3564 |
| Compound Name: | 5-(4-benzylpiperidin-1-yl)-2-[(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C22 H22 N4 O2 S2 |
| Smiles: | CCN1C(/C(=C\c2nc(C#N)c(N3CCC(CC3)Cc3ccccc3)o2)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.881 |
| logD: | 4.881 |
| logSw: | -4.6422 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.62 |
| InChI Key: | RKDFAERNONJEEU-UHFFFAOYSA-N |