5-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Chemical Structure Depiction of
5-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
5-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V029-8409 |
| Compound Name: | 5-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)-2-methoxyphenyl 3,4-dichlorobenzene-1-sulfonate |
| Molecular Weight: | 540.46 |
| Molecular Formula: | C25 H27 Cl2 N O6 S |
| Smiles: | CC(C)(C)CC(N(Cc1ccc(c(c1)OS(c1ccc(c(c1)[Cl])[Cl])(=O)=O)OC)Cc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8726 |
| logD: | 5.8726 |
| logSw: | -6.0132 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.149 |
| InChI Key: | PPUWAJNXKWLQPF-UHFFFAOYSA-N |