3-({N-[(furan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(furan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
3-({N-[(furan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate
Compound characteristics
| Compound ID: | V027-2575 |
| Compound Name: | 3-({N-[(furan-2-yl)methyl](propan-2-yl)carbamamido}methyl)phenyl 3-fluoro-4-methoxybenzene-1-sulfonate |
| Molecular Weight: | 476.52 |
| Molecular Formula: | C23 H25 F N2 O6 S |
| Smiles: | CC(C)NC(N(Cc1cccc(c1)OS(c1ccc(c(c1)F)OC)(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1431 |
| logD: | 4.1431 |
| logSw: | -4.3473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.707 |
| InChI Key: | HMFMBNVSNAIGLO-UHFFFAOYSA-N |