5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[(4-methoxyphenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Chemical Structure Depiction of
5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[(4-methoxyphenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[(4-methoxyphenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile
Compound characteristics
| Compound ID: | 8006-4475 |
| Compound Name: | 5-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[(4-methoxyphenyl)methyl]sulfanyl}-1,2-thiazole-4-carbonitrile |
| Molecular Weight: | 414.57 |
| Molecular Formula: | C20 H18 N2 O2 S3 |
| Smiles: | COc1ccc(CSc2c(C#N)c(SCc3cccc(c3)OC)sn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.346 |
| logD: | 5.346 |
| logSw: | -5.5713 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.462 |
| InChI Key: | AKDMCEDCRVFZHO-UHFFFAOYSA-N |