4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-[methyl(phenyl)sulfamoyl]benzoate
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-[methyl(phenyl)sulfamoyl]benzoate
4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-[methyl(phenyl)sulfamoyl]benzoate
Compound characteristics
| Compound ID: | 3338-3486 |
| Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-[methyl(phenyl)sulfamoyl]benzoate |
| Molecular Weight: | 551.64 |
| Molecular Formula: | C30 H21 N3 O4 S2 |
| Smiles: | CN(c1ccccc1)S(c1ccc(cc1)C(=O)Oc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5449 |
| logD: | 6.5449 |
| logSw: | -5.9036 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.943 |
| InChI Key: | ODRQIJQSCBNDJK-UHFFFAOYSA-N |