2-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
2-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
2-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2549 |
| Compound Name: | 2-{[tert-butyl-N-(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C21 H27 F N2 O4 S |
| Smiles: | CC(C)N(Cc1ccccc1OS(c1ccc(cc1)F)(=O)=O)C(NC(C)(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.753 |
| logD: | 4.753 |
| logSw: | -4.477 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.28 |
| InChI Key: | GLADOSQSKUZJSN-UHFFFAOYSA-N |