4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 1-benzenesulfonate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 1-benzenesulfonate
4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 1-benzenesulfonate
Compound characteristics
| Compound ID: | 3797-0422 |
| Compound Name: | 4-{2-cyano-3-[(5-isopropyl-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl 1-benzenesulfonate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C22 H20 N4 O5 S2 |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2ccc(c(c2)OC)OS(c2ccccc2)(=O)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.08 |
| logD: | 2.17 |
| logSw: | -4.96 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 229.05 |
| InChI Key: | HLRVRXHHRVEAFM-UHFFFAOYSA-N |