3,5-bis{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Chemical Structure Depiction of
3,5-bis{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
3,5-bis{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Compound characteristics
| Compound ID: | 7954-0299 |
| Compound Name: | 3,5-bis{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C22 H18 N2 O4 S3 |
| Smiles: | COc1ccc(cc1)C(CSc1c(C#N)c(SCC(c2ccc(cc2)OC)=O)sn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6009 |
| logD: | 4.6009 |
| logSw: | -4.5448 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.956 |
| InChI Key: | YHVAAJMMKCGSBX-UHFFFAOYSA-N |