5-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-4298 |
| Compound Name: | 5-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 501.55 |
| Molecular Formula: | C26 H25 F2 N O5 S |
| Smiles: | COc1ccc(CN(Cc2ccc(cc2)F)C(C2CCC2)=O)cc1OS(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0896 |
| logD: | 4.0896 |
| logSw: | -4.2866 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.18 |
| InChI Key: | JCLOETGSVQEQSS-UHFFFAOYSA-N |