5-(azepan-1-yl)-2-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(azepan-1-yl)-2-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-3770 |
| Compound Name: | 5-(azepan-1-yl)-2-{[4-oxo-3-(2-phenylethyl)-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: | C1CCCN(CC1)c1c(C#N)nc(\C=C2/C(N(CCc3ccccc3)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.8072 |
| logD: | 4.8072 |
| logSw: | -4.6804 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.205 |
| InChI Key: | ONVKXNGIADQYLX-UHFFFAOYSA-N |