2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate
2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | C355-1210 |
| Compound Name: | 2-chloro-4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-6-methoxyphenyl methanesulfonate |
| Molecular Weight: | 520.99 |
| Molecular Formula: | C17 H17 Cl N4 O7 S3 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2cc(c(c(c2)[Cl])OS(C)(=O)=O)OC)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.88 |
| logD: | 0.53 |
| logSw: | -3.68 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 278.27 |
| InChI Key: | XSELILXPFJXUMZ-UHFFFAOYSA-N |