3-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
3-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-4726 |
| Compound Name: | 3-({ethyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 472.53 |
| Molecular Formula: | C24 H25 F N2 O5 S |
| Smiles: | CCNC(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0769 |
| logD: | 4.0769 |
| logSw: | -4.2344 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.523 |
| InChI Key: | ROOPYHNTOPQRBV-UHFFFAOYSA-N |