5-(azepan-1-yl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(azepan-1-yl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-3762 |
| Compound Name: | 5-(azepan-1-yl)-2-({3-[(4-fluorophenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C21 H19 F N4 O2 S2 |
| Smiles: | C1CCCN(CC1)c1c(C#N)nc(\C=C2/C(N(Cc3ccc(cc3)F)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7372 |
| logD: | 4.7372 |
| logSw: | -4.5484 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.227 |
| InChI Key: | DRZKCMFJUIORBL-UHFFFAOYSA-N |