4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-(2,5-dioxopyrrolidine-1-sulfonyl)benzoate
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-(2,5-dioxopyrrolidine-1-sulfonyl)benzoate
4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-(2,5-dioxopyrrolidine-1-sulfonyl)benzoate
Compound characteristics
| Compound ID: | 3338-3494 |
| Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-(2,5-dioxopyrrolidine-1-sulfonyl)benzoate |
| Molecular Weight: | 543.58 |
| Molecular Formula: | C27 H17 N3 O6 S2 |
| Smiles: | C1CC(N(C1=O)S(c1ccc(cc1)C(=O)Oc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5345 |
| logD: | 3.5345 |
| logSw: | -3.8448 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 106.402 |
| InChI Key: | QTSVEGLRZBFJNP-UHFFFAOYSA-N |