5-(azepan-1-yl)-2-[(3-benzyl-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-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-3732 |
| Compound Name: | 5-(azepan-1-yl)-2-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C21 H20 N4 O2 S2 |
| Smiles: | C1CCCN(CC1)c1c(C#N)nc(\C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.7081 |
| logD: | 4.7081 |
| logSw: | -4.537 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.227 |
| InChI Key: | YKMIYKYMPZUHOB-UHFFFAOYSA-N |