4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-(morpholine-4-sulfonyl)benzoate
Chemical Structure Depiction of
4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-(morpholine-4-sulfonyl)benzoate
4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-(morpholine-4-sulfonyl)benzoate
Compound characteristics
| Compound ID: | 3338-3481 |
| Compound Name: | 4-[2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl 4-(morpholine-4-sulfonyl)benzoate |
| Molecular Weight: | 531.61 |
| Molecular Formula: | C27 H21 N3 O5 S2 |
| Smiles: | C1COCCN1S(c1ccc(cc1)C(=O)Oc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7547 |
| logD: | 4.7547 |
| logSw: | -4.8821 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.741 |
| InChI Key: | RFBJXPSQKGHCNB-UHFFFAOYSA-N |