5-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
5-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V022-6648 |
| Compound Name: | 5-({tert-butyl-N-[(4-fluorophenyl)methyl]carbamamido}methyl)-2-methoxyphenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 518.58 |
| Molecular Formula: | C26 H28 F2 N2 O5 S |
| Smiles: | CC(C)(C)NC(N(Cc1ccc(cc1)F)Cc1ccc(c(c1)OS(c1ccc(cc1)F)(=O)=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8582 |
| logD: | 4.8582 |
| logSw: | -4.7429 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.895 |
| InChI Key: | CTUQKSDEEXTDHX-UHFFFAOYSA-N |