4-chloro-2-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-chloro-2-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-acetamidobenzene-1-sulfonate
4-chloro-2-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V026-1836 |
| Compound Name: | 4-chloro-2-({(cyclobutanecarbonyl)[(4-fluorophenyl)methyl]amino}methyl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 545.03 |
| Molecular Formula: | C27 H26 Cl F N2 O5 S |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1CN(Cc1ccc(cc1)F)C(C1CCC1)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3271 |
| logD: | 4.327 |
| logSw: | -4.547 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.811 |
| InChI Key: | BBFPDRUNZGTBFX-UHFFFAOYSA-N |