2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V004-5228 |
| Compound Name: | 2-{[N-(butan-2-yl)-3,3-dimethylbutanamido]methyl}-4-chlorophenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 470 |
| Molecular Formula: | C23 H29 Cl F N O4 S |
| Smiles: | CCC(C)N(Cc1cc(ccc1OS(c1ccc(cc1)F)(=O)=O)[Cl])C(CC(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2319 |
| logD: | 6.2319 |
| logSw: | -6.0969 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.37 |
| InChI Key: | FCKVADTYSNEJGD-INIZCTEOSA-N |