2-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
Chemical Structure Depiction of
2-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
2-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y070-3367 |
| Compound Name: | 2-{[3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-5-(4-methylanilino)-1,3-oxazole-4-carbonitrile |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C19 H18 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)Nc1c(C#N)nc(\C=C2/C(N(CCCOC)C(=S)S2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7365 |
| logD: | 3.7365 |
| logSw: | -3.9063 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.689 |
| InChI Key: | XGZJVDDFXOWPGS-UHFFFAOYSA-N |