ethyl 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate--benzoic acid (1/1)
Chemical Structure Depiction of
ethyl 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate--benzoic acid (1/1)
ethyl 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate--benzoic acid (1/1)
Compound characteristics
| Compound ID: | 0116-0041 |
| Compound Name: | ethyl 2-[6-(ethylamino)-3-(ethylimino)-2,7-dimethyl-3H-xanthen-9-yl]benzoate--benzoic acid (1/1) |
| Molecular Weight: | 564.68 |
| Molecular Formula: | C28 H30 N2 O3 |
| Salt: | C6H5COOH |
| Smiles: | CCNc1cc2c(cc1C)C(=C1C=C(C)C(/C=C1O2)=N/CC)c1ccccc1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 6.284 |
| logD: | 1.285 |
| logSw: | -5.599 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.94 |
| InChI Key: | IWWWBRIIGAXLCJ-BGABXYSRSA-N |