3-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2582 |
| Compound Name: | 3-{[ethyl-N-(2-methylpropyl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C21 H27 F N2 O5 S |
| Smiles: | CCNC(N(CC(C)C)Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8822 |
| logD: | 3.8822 |
| logSw: | -4.0686 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.882 |
| InChI Key: | WEINQBKSWRFHSN-UHFFFAOYSA-N |