3-[2-{2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene}-5-methoxy-1,3-benzoselenazol-3(2H)-yl]propane-1-sulfonate
Chemical Structure Depiction of
3-[2-{2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene}-5-methoxy-1,3-benzoselenazol-3(2H)-yl]propane-1-sulfonate
3-[2-{2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene}-5-methoxy-1,3-benzoselenazol-3(2H)-yl]propane-1-sulfonate
Compound characteristics
| Compound ID: | 2324-0292 |
| Compound Name: | 3-[2-{2-[(3-ethyl-5-methoxy-1,3-benzoselenazol-3-ium-2-yl)methylidene]butylidene}-5-methoxy-1,3-benzoselenazol-3(2H)-yl]propane-1-sulfonate |
| Molecular Weight: | 640.52 |
| Molecular Formula: | C26 H30 N2 O5 S Se2 |
| Smiles: | CC/C(=C\c1[n+](CC)c2cc(ccc2[se]1)OC)/C=C1/N(CCCS([O-])(=O)=O)c2cc(ccc2[Se]1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2428 |
| logD: | 4.2428 |
| logSw: | -4.2325 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.596 |
| InChI Key: | CADIKFSFQZHHJN-UHFFFAOYSA-N |