2-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
2-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-6827 |
| Compound Name: | 2-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 501.55 |
| Molecular Formula: | C26 H25 F2 N O5 S |
| Smiles: | COc1ccc(cc1F)S(=O)(=O)Oc1ccccc1CN(Cc1ccc(cc1)F)C(C1CCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5167 |
| logD: | 4.5167 |
| logSw: | -4.3828 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.18 |
| InChI Key: | KMCWLJXSFKOCMP-UHFFFAOYSA-N |