2-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
2-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
2-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-3341 |
| Compound Name: | 2-{[N-(butan-2-yl)(propan-2-yl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 452.54 |
| Molecular Formula: | C22 H29 F N2 O5 S |
| Smiles: | CCC(C)N(Cc1ccccc1OS(c1ccc(c(c1)F)OC)(=O)=O)C(NC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7302 |
| logD: | 4.7302 |
| logSw: | -4.506 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.645 |
| InChI Key: | XRMRBXATIVQUFL-INIZCTEOSA-N |