2-{2-cyano-3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 1-benzenesulfonate
Chemical Structure Depiction of
2-{2-cyano-3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 1-benzenesulfonate
2-{2-cyano-3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 1-benzenesulfonate
Compound characteristics
| Compound ID: | 3797-0256 |
| Compound Name: | 2-{2-cyano-3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]-1-propenyl}phenyl 1-benzenesulfonate |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C21 H18 N4 O4 S2 |
| Smiles: | CCCc1nnc(NC(C(=C/c2ccccc2OS(c2ccccc2)(=O)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.39 |
| logD: | 2.76 |
| logSw: | -4.86 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 210.01 |
| InChI Key: | BDOOAHDUBCETGE-UHFFFAOYSA-N |