3,5-bis{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Chemical Structure Depiction of
3,5-bis{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
3,5-bis{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8006-4521 |
| Compound Name: | 3,5-bis{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}-1,2-thiazole-4-carbonitrile |
| Molecular Weight: | 530.64 |
| Molecular Formula: | C24 H22 N2 O6 S3 |
| Smiles: | COc1ccc(cc1OC)C(CSc1c(C#N)c(SCC(c2ccc(c(c2)OC)OC)=O)sn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3547 |
| logD: | 4.3547 |
| logSw: | -4.5726 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.39 |
| InChI Key: | QMKMWMDDRCJBQT-UHFFFAOYSA-N |