3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-5760 |
| Compound Name: | 3-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)phenyl 4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 500.59 |
| Molecular Formula: | C26 H29 F N2 O5 S |
| Smiles: | CC(C)(C)NC(N(Cc1ccc(cc1)F)Cc1cccc(c1)OS(c1ccc(cc1)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1166 |
| logD: | 5.1166 |
| logSw: | -5.1208 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.721 |
| InChI Key: | XFTGCIPUFOQSHT-UHFFFAOYSA-N |