3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl ethanesulfonate
Chemical Structure Depiction of
3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl ethanesulfonate
3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl ethanesulfonate
Compound characteristics
| Compound ID: | V026-2717 |
| Compound Name: | 3-({N-[(4-fluorophenyl)methyl]-3-methylbutanamido}methyl)phenyl ethanesulfonate |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C21 H26 F N O4 S |
| Smiles: | CCS(=O)(=O)Oc1cccc(CN(Cc2ccc(cc2)F)C(CC(C)C)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7209 |
| logD: | 3.7209 |
| logSw: | -4.0075 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.031 |
| InChI Key: | QEWUDGLZGJEQOO-UHFFFAOYSA-N |