4-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl propane-2-sulfonate
Chemical Structure Depiction of
4-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl propane-2-sulfonate
4-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl propane-2-sulfonate
Compound characteristics
| Compound ID: | V026-4894 |
| Compound Name: | 4-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl propane-2-sulfonate |
| Molecular Weight: | 407.53 |
| Molecular Formula: | C21 H29 N O5 S |
| Smiles: | CC(C)S(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(CC(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1628 |
| logD: | 4.1628 |
| logSw: | -4.1036 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.704 |
| InChI Key: | RGPZUWMUSZQGDJ-UHFFFAOYSA-N |