4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethanesulfonate
4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V012-8252 |
| Compound Name: | 4-({N-[(furan-2-yl)methyl]-3,5,5-trimethylhexanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 435.58 |
| Molecular Formula: | C23 H33 N O5 S |
| Smiles: | CCS(=O)(=O)Oc1ccc(CN(Cc2ccco2)C(CC(C)CC(C)(C)C)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6137 |
| logD: | 4.6137 |
| logSw: | -4.2664 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.779 |
| InChI Key: | XYCRMCOGXMQEIR-GOSISDBHSA-N |