2-bromo-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
2-bromo-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate
2-bromo-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | C354-0247 |
| Compound Name: | 2-bromo-4-(2-cyano-3-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate |
| Molecular Weight: | 505.39 |
| Molecular Formula: | C15 H13 Br N4 O5 S3 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc(c1OS(C)(=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.29 |
| logD: | 2.61 |
| logSw: | -4.11 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 254.93 |
| InChI Key: | XHDDCTNGKSJCNI-UHFFFAOYSA-N |