5-(4-ethoxyanilino)-2-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
5-(4-ethoxyanilino)-2-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
5-(4-ethoxyanilino)-2-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-1438 |
| Compound Name: | 5-(4-ethoxyanilino)-2-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C20 H20 N4 O4 S2 |
| Smiles: | CCOc1ccc(cc1)Nc1c(C#N)nc(\C=C2/C(N(CCCOC)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.6821 |
| logD: | 3.6821 |
| logSw: | -3.8375 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.813 |
| InChI Key: | BHWLDDANDJRGTR-UHFFFAOYSA-N |