5-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)-2-methoxyphenyl propane-2-sulfonate
Chemical Structure Depiction of
5-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)-2-methoxyphenyl propane-2-sulfonate
5-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)-2-methoxyphenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V029-9675 |
| Compound Name: | 5-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)-2-methoxyphenyl propane-2-sulfonate |
| Molecular Weight: | 449.54 |
| Molecular Formula: | C23 H28 F N O5 S |
| Smiles: | CC(C)S(=O)(=O)Oc1cc(CN(Cc2ccc(cc2)F)C(C2CCC2)=O)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.2704 |
| logD: | 3.2704 |
| logSw: | -3.4744 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.451 |
| InChI Key: | JCEFDBFTOXQLSV-UHFFFAOYSA-N |