3-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Chemical Structure Depiction of
3-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
3-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | V031-2080 |
| Compound Name: | 3-({N-[(furan-2-yl)methyl]-3-methylbutanamido}methyl)phenyl 2-chloro-6-methylbenzene-1-sulfonate |
| Molecular Weight: | 475.99 |
| Molecular Formula: | C24 H26 Cl N O5 S |
| Smiles: | CC(C)CC(N(Cc1cccc(c1)OS(c1c(C)cccc1[Cl])(=O)=O)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1399 |
| logD: | 5.1399 |
| logSw: | -5.618 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.432 |
| InChI Key: | ZPWYWHVPSKXAOJ-UHFFFAOYSA-N |