2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-4217 |
| Compound Name: | 2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-5-(morpholin-4-yl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C20 H16 N4 O5 S2 |
| Smiles: | C1COCCN1c1c(C#N)nc(\C=C2/C(N(Cc3ccc4c(c3)OCO4)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.9247 |
| logD: | 2.9247 |
| logSw: | -3.2495 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.92 |
| InChI Key: | GXAOBPMXBDEJNY-UHFFFAOYSA-N |