3-[(N-cyclopropyl-2-ethylhexanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
Chemical Structure Depiction of
3-[(N-cyclopropyl-2-ethylhexanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
3-[(N-cyclopropyl-2-ethylhexanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate
Compound characteristics
| Compound ID: | V006-7928 |
| Compound Name: | 3-[(N-cyclopropyl-2-ethylhexanamido)methyl]phenyl 4-fluorobenzene-1-sulfonate |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C24 H30 F N O4 S |
| Smiles: | CCCCC(CC)C(N(Cc1cccc(c1)OS(c1ccc(cc1)F)(=O)=O)C1CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8246 |
| logD: | 5.8246 |
| logSw: | -5.4149 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.787 |
| InChI Key: | LRQUPKKEXRGYQT-IBGZPJMESA-N |