5-(azepan-1-yl)-2-({3-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,3-oxazole-4-carbonitrile
5-(azepan-1-yl)-2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-3731 |
| Compound Name: | 5-(azepan-1-yl)-2-({3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | C1CCCN(CC1)c1c(C#N)nc(\C=C2/C(N(Cc3ccc4c(c3)OCO4)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.5793 |
| logD: | 4.5793 |
| logSw: | -4.3866 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.342 |
| InChI Key: | MHQIVNOPTGSRQN-UHFFFAOYSA-N |