3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethanesulfonate
3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V029-9665 |
| Compound Name: | 3-({N-[(furan-2-yl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 393.5 |
| Molecular Formula: | C20 H27 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(Cc2ccco2)C(CC(C)(C)C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7379 |
| logD: | 3.7379 |
| logSw: | -3.9534 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.779 |
| InChI Key: | BXOLETXWIVWBMD-UHFFFAOYSA-N |