4-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V025-6549 |
| Compound Name: | 4-{[N-(2-methoxyethyl)-3-methylbutanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 423.5 |
| Molecular Formula: | C21 H26 F N O5 S |
| Smiles: | CC(C)CC(N(CCOC)Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6186 |
| logD: | 3.6186 |
| logSw: | -3.7224 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.276 |
| InChI Key: | QKLAHYJCVHWBTC-UHFFFAOYSA-N |