3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-4290 |
| Compound Name: | 3-{[2-methyl-N-(propan-2-yl)propanamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C20 H24 F N O4 S |
| Smiles: | CC(C)C(N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1051 |
| logD: | 4.1051 |
| logSw: | -4.2748 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.226 |
| InChI Key: | OASVHUJZQTXUJQ-UHFFFAOYSA-N |