3-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2516 |
| Compound Name: | 3-{[N-(2-methoxyethyl)(propan-2-yl)carbamamido]methyl}phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C21 H27 F N2 O6 S |
| Smiles: | CC(C)NC(N(CCOC)Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1379 |
| logD: | 3.1379 |
| logSw: | -3.6291 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.551 |
| InChI Key: | XPHNEAMPGCBSNU-UHFFFAOYSA-N |