4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-0213 |
| Compound Name: | 4-{[tert-butyl-N-(2-methoxyethyl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C21 H27 F N2 O5 S |
| Smiles: | CC(C)(C)NC(N(CCOC)Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6174 |
| logD: | 3.6173 |
| logSw: | -3.7116 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.77 |
| InChI Key: | RNVKVRHTVTVGRE-UHFFFAOYSA-N |