4-({N-(2-methylpropyl)[4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-({N-(2-methylpropyl)[4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
4-({N-(2-methylpropyl)[4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V001-3552 |
| Compound Name: | 4-({N-(2-methylpropyl)[4-(propan-2-yl)phenyl]carbamamido}methyl)phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C27 H31 F N2 O4 S |
| Smiles: | CC(C)CN(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(Nc1ccc(cc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6255 |
| logD: | 6.6255 |
| logSw: | -5.6858 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.032 |
| InChI Key: | MKKNEEDYAIHEAY-UHFFFAOYSA-N |