4-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
4-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
4-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V024-6051 |
| Compound Name: | 4-{[N-di(propan-2-yl)carbamamido]methyl}phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C20 H25 F N2 O4 S |
| Smiles: | CC(C)NC(N(Cc1ccc(cc1)OS(c1ccc(cc1)F)(=O)=O)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0535 |
| logD: | 4.0535 |
| logSw: | -4.0246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.343 |
| InChI Key: | RXMKLGJGFPJEQX-UHFFFAOYSA-N |