2-[3,6-bis(ethylamino)-2,7-dimethylxanthen-10-ium-9-yl]benzoate
Chemical Structure Depiction of
2-[3,6-bis(ethylamino)-2,7-dimethylxanthen-10-ium-9-yl]benzoate
2-[3,6-bis(ethylamino)-2,7-dimethylxanthen-10-ium-9-yl]benzoate
Compound characteristics
| Compound ID: | 0099-0338 |
| Compound Name: | 2-[3,6-bis(ethylamino)-2,7-dimethylxanthen-10-ium-9-yl]benzoate |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C26 H26 N2 O3 |
| Smiles: | CCNc1cc2c(cc1C)C(c1ccccc1C([O-])=O)=c1cc(C)c(cc1=[O+]2)NCC |
| Stereo: | ACHIRAL |
| logP: | 5.2403 |
| logD: | 5.2403 |
| logSw: | -4.7264 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.348 |
| InChI Key: | WMRJZJXMLCVXPN-UHFFFAOYSA-N |